What would the chemical name be for C13H8Cl3NO
$begingroup$
Formula
C13H8Cl3NO
SMILES
C1=C(C(=CC(=C1)Cl)Cl)N(C(C2=CC=CC=C2)=O)Cl
I found the diagram on the left in a book and drew the one on the right using
https://pubchem.ncbi.nlm.nih.gov/edit2/index.html
And got the SMILES description from that.
Any clues as to what might be an IUPAC name and the formal way to write it out? Have I have even drawn it correctly? I could not do it exactly because the two rings kept connecting if I followed the same orientation. I don't know enough about double ring compounds to even hazard a guess.
Is there a automatic naming engine out there?
A compound called British Impregnite found in The Scientific method by Louis F. Fieser p.137
organic-chemistry nomenclature molecular-structure
$endgroup$
add a comment |
$begingroup$
Formula
C13H8Cl3NO
SMILES
C1=C(C(=CC(=C1)Cl)Cl)N(C(C2=CC=CC=C2)=O)Cl
I found the diagram on the left in a book and drew the one on the right using
https://pubchem.ncbi.nlm.nih.gov/edit2/index.html
And got the SMILES description from that.
Any clues as to what might be an IUPAC name and the formal way to write it out? Have I have even drawn it correctly? I could not do it exactly because the two rings kept connecting if I followed the same orientation. I don't know enough about double ring compounds to even hazard a guess.
Is there a automatic naming engine out there?
A compound called British Impregnite found in The Scientific method by Louis F. Fieser p.137
organic-chemistry nomenclature molecular-structure
$endgroup$
1
$begingroup$
Try Chemspider chemspider.com
$endgroup$
– Waylander
4 hours ago
1
$begingroup$
Chemdoodle thinks it is [N-Chloro(2,4-dichlorophenyl)amino]phenylformaldehyde but there is probably a less systematic version as well.
$endgroup$
– matt_black
4 hours ago
2
$begingroup$
@matt_black Wow, that's like most complicated, but very much not systematic name I've seen.
$endgroup$
– Mithoron
4 hours ago
3
$begingroup$
@matt_black That's Chemdoodle being Chemdoodle, I think:)
$endgroup$
– andselisk
3 hours ago
add a comment |
$begingroup$
Formula
C13H8Cl3NO
SMILES
C1=C(C(=CC(=C1)Cl)Cl)N(C(C2=CC=CC=C2)=O)Cl
I found the diagram on the left in a book and drew the one on the right using
https://pubchem.ncbi.nlm.nih.gov/edit2/index.html
And got the SMILES description from that.
Any clues as to what might be an IUPAC name and the formal way to write it out? Have I have even drawn it correctly? I could not do it exactly because the two rings kept connecting if I followed the same orientation. I don't know enough about double ring compounds to even hazard a guess.
Is there a automatic naming engine out there?
A compound called British Impregnite found in The Scientific method by Louis F. Fieser p.137
organic-chemistry nomenclature molecular-structure
$endgroup$
Formula
C13H8Cl3NO
SMILES
C1=C(C(=CC(=C1)Cl)Cl)N(C(C2=CC=CC=C2)=O)Cl
I found the diagram on the left in a book and drew the one on the right using
https://pubchem.ncbi.nlm.nih.gov/edit2/index.html
And got the SMILES description from that.
Any clues as to what might be an IUPAC name and the formal way to write it out? Have I have even drawn it correctly? I could not do it exactly because the two rings kept connecting if I followed the same orientation. I don't know enough about double ring compounds to even hazard a guess.
Is there a automatic naming engine out there?
A compound called British Impregnite found in The Scientific method by Louis F. Fieser p.137
organic-chemistry nomenclature molecular-structure
organic-chemistry nomenclature molecular-structure
edited 4 hours ago
andselisk
17.1k655115
17.1k655115
asked 4 hours ago
KalleMPKalleMP
389116
389116
1
$begingroup$
Try Chemspider chemspider.com
$endgroup$
– Waylander
4 hours ago
1
$begingroup$
Chemdoodle thinks it is [N-Chloro(2,4-dichlorophenyl)amino]phenylformaldehyde but there is probably a less systematic version as well.
$endgroup$
– matt_black
4 hours ago
2
$begingroup$
@matt_black Wow, that's like most complicated, but very much not systematic name I've seen.
$endgroup$
– Mithoron
4 hours ago
3
$begingroup$
@matt_black That's Chemdoodle being Chemdoodle, I think:)
$endgroup$
– andselisk
3 hours ago
add a comment |
1
$begingroup$
Try Chemspider chemspider.com
$endgroup$
– Waylander
4 hours ago
1
$begingroup$
Chemdoodle thinks it is [N-Chloro(2,4-dichlorophenyl)amino]phenylformaldehyde but there is probably a less systematic version as well.
$endgroup$
– matt_black
4 hours ago
2
$begingroup$
@matt_black Wow, that's like most complicated, but very much not systematic name I've seen.
$endgroup$
– Mithoron
4 hours ago
3
$begingroup$
@matt_black That's Chemdoodle being Chemdoodle, I think:)
$endgroup$
– andselisk
3 hours ago
1
1
$begingroup$
Try Chemspider chemspider.com
$endgroup$
– Waylander
4 hours ago
$begingroup$
Try Chemspider chemspider.com
$endgroup$
– Waylander
4 hours ago
1
1
$begingroup$
Chemdoodle thinks it is [N-Chloro(2,4-dichlorophenyl)amino]phenylformaldehyde but there is probably a less systematic version as well.
$endgroup$
– matt_black
4 hours ago
$begingroup$
Chemdoodle thinks it is [N-Chloro(2,4-dichlorophenyl)amino]phenylformaldehyde but there is probably a less systematic version as well.
$endgroup$
– matt_black
4 hours ago
2
2
$begingroup$
@matt_black Wow, that's like most complicated, but very much not systematic name I've seen.
$endgroup$
– Mithoron
4 hours ago
$begingroup$
@matt_black Wow, that's like most complicated, but very much not systematic name I've seen.
$endgroup$
– Mithoron
4 hours ago
3
3
$begingroup$
@matt_black That's Chemdoodle being Chemdoodle, I think:)
$endgroup$
– andselisk
3 hours ago
$begingroup$
@matt_black That's Chemdoodle being Chemdoodle, I think:)
$endgroup$
– andselisk
3 hours ago
add a comment |
2 Answers
2
active
oldest
votes
$begingroup$
Well, let's reconstruct that starting from the very right side, where it says a $ce{C_6H_5}$. The ring and the $ce{CO}$ group would be a benzaldehyde if it had an $ce{H}$ instead of an $ce{N}$, right? Or a benzoic acid if it was $ce{OH}$ instead of $ce{N}$. So what would it be if it had an $ce{NH_2}$-group? It would be a benzamide. If the $ce{N}$ is substituted with for example a chloride we call that N-chlorobenzamide. And now we have another $ce{N}$-centered ligand, the second phenyl ring. The ring has three positions, the one where it's connected to the rest of the molecule would be 1, so that makes a 2,4-dichlorophenyl.
Summarizing we get N-chloro-N-(2,4-dichlorophenyl)benzamide
$endgroup$
add a comment |
$begingroup$
There is a paper [1] reporting a structural investigation of aromatic N-chloroamides.
They investigated polymorphs of similar compound they refer to as N-chloro-N-phenylbenzamide:
Chlorinated product, I suspect, is indeed is going to be named N‐chloro‐N‐(2,4‐dichlorophenyl)benzamide, as the first answer suggested.
References
- Naumov, P.; Topcu, Y.; Eckert-Maksić, M.; Glasovac, Z.; Pavošević, F.; Kochunnoonny, M.; Hara, H. Photoinduced Rearrangement of Aromatic N-Chloroamides to Chloroaromatic Amides in the Solid State: Inverted $Π_ce{N}–Σ_ce{N}$ Occupational Stability of Amidyl Radicals. The Journal of Physical Chemistry A 2011, 115 (26), 7834–7848. https://doi.org/10.1021/jp203771c.
$endgroup$
add a comment |
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2 Answers
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2 Answers
2
active
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active
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active
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votes
$begingroup$
Well, let's reconstruct that starting from the very right side, where it says a $ce{C_6H_5}$. The ring and the $ce{CO}$ group would be a benzaldehyde if it had an $ce{H}$ instead of an $ce{N}$, right? Or a benzoic acid if it was $ce{OH}$ instead of $ce{N}$. So what would it be if it had an $ce{NH_2}$-group? It would be a benzamide. If the $ce{N}$ is substituted with for example a chloride we call that N-chlorobenzamide. And now we have another $ce{N}$-centered ligand, the second phenyl ring. The ring has three positions, the one where it's connected to the rest of the molecule would be 1, so that makes a 2,4-dichlorophenyl.
Summarizing we get N-chloro-N-(2,4-dichlorophenyl)benzamide
$endgroup$
add a comment |
$begingroup$
Well, let's reconstruct that starting from the very right side, where it says a $ce{C_6H_5}$. The ring and the $ce{CO}$ group would be a benzaldehyde if it had an $ce{H}$ instead of an $ce{N}$, right? Or a benzoic acid if it was $ce{OH}$ instead of $ce{N}$. So what would it be if it had an $ce{NH_2}$-group? It would be a benzamide. If the $ce{N}$ is substituted with for example a chloride we call that N-chlorobenzamide. And now we have another $ce{N}$-centered ligand, the second phenyl ring. The ring has three positions, the one where it's connected to the rest of the molecule would be 1, so that makes a 2,4-dichlorophenyl.
Summarizing we get N-chloro-N-(2,4-dichlorophenyl)benzamide
$endgroup$
add a comment |
$begingroup$
Well, let's reconstruct that starting from the very right side, where it says a $ce{C_6H_5}$. The ring and the $ce{CO}$ group would be a benzaldehyde if it had an $ce{H}$ instead of an $ce{N}$, right? Or a benzoic acid if it was $ce{OH}$ instead of $ce{N}$. So what would it be if it had an $ce{NH_2}$-group? It would be a benzamide. If the $ce{N}$ is substituted with for example a chloride we call that N-chlorobenzamide. And now we have another $ce{N}$-centered ligand, the second phenyl ring. The ring has three positions, the one where it's connected to the rest of the molecule would be 1, so that makes a 2,4-dichlorophenyl.
Summarizing we get N-chloro-N-(2,4-dichlorophenyl)benzamide
$endgroup$
Well, let's reconstruct that starting from the very right side, where it says a $ce{C_6H_5}$. The ring and the $ce{CO}$ group would be a benzaldehyde if it had an $ce{H}$ instead of an $ce{N}$, right? Or a benzoic acid if it was $ce{OH}$ instead of $ce{N}$. So what would it be if it had an $ce{NH_2}$-group? It would be a benzamide. If the $ce{N}$ is substituted with for example a chloride we call that N-chlorobenzamide. And now we have another $ce{N}$-centered ligand, the second phenyl ring. The ring has three positions, the one where it's connected to the rest of the molecule would be 1, so that makes a 2,4-dichlorophenyl.
Summarizing we get N-chloro-N-(2,4-dichlorophenyl)benzamide
edited 4 hours ago
Loong♦
33.3k883172
33.3k883172
answered 4 hours ago
JustanotherchemistJustanotherchemist
1,924620
1,924620
add a comment |
add a comment |
$begingroup$
There is a paper [1] reporting a structural investigation of aromatic N-chloroamides.
They investigated polymorphs of similar compound they refer to as N-chloro-N-phenylbenzamide:
Chlorinated product, I suspect, is indeed is going to be named N‐chloro‐N‐(2,4‐dichlorophenyl)benzamide, as the first answer suggested.
References
- Naumov, P.; Topcu, Y.; Eckert-Maksić, M.; Glasovac, Z.; Pavošević, F.; Kochunnoonny, M.; Hara, H. Photoinduced Rearrangement of Aromatic N-Chloroamides to Chloroaromatic Amides in the Solid State: Inverted $Π_ce{N}–Σ_ce{N}$ Occupational Stability of Amidyl Radicals. The Journal of Physical Chemistry A 2011, 115 (26), 7834–7848. https://doi.org/10.1021/jp203771c.
$endgroup$
add a comment |
$begingroup$
There is a paper [1] reporting a structural investigation of aromatic N-chloroamides.
They investigated polymorphs of similar compound they refer to as N-chloro-N-phenylbenzamide:
Chlorinated product, I suspect, is indeed is going to be named N‐chloro‐N‐(2,4‐dichlorophenyl)benzamide, as the first answer suggested.
References
- Naumov, P.; Topcu, Y.; Eckert-Maksić, M.; Glasovac, Z.; Pavošević, F.; Kochunnoonny, M.; Hara, H. Photoinduced Rearrangement of Aromatic N-Chloroamides to Chloroaromatic Amides in the Solid State: Inverted $Π_ce{N}–Σ_ce{N}$ Occupational Stability of Amidyl Radicals. The Journal of Physical Chemistry A 2011, 115 (26), 7834–7848. https://doi.org/10.1021/jp203771c.
$endgroup$
add a comment |
$begingroup$
There is a paper [1] reporting a structural investigation of aromatic N-chloroamides.
They investigated polymorphs of similar compound they refer to as N-chloro-N-phenylbenzamide:
Chlorinated product, I suspect, is indeed is going to be named N‐chloro‐N‐(2,4‐dichlorophenyl)benzamide, as the first answer suggested.
References
- Naumov, P.; Topcu, Y.; Eckert-Maksić, M.; Glasovac, Z.; Pavošević, F.; Kochunnoonny, M.; Hara, H. Photoinduced Rearrangement of Aromatic N-Chloroamides to Chloroaromatic Amides in the Solid State: Inverted $Π_ce{N}–Σ_ce{N}$ Occupational Stability of Amidyl Radicals. The Journal of Physical Chemistry A 2011, 115 (26), 7834–7848. https://doi.org/10.1021/jp203771c.
$endgroup$
There is a paper [1] reporting a structural investigation of aromatic N-chloroamides.
They investigated polymorphs of similar compound they refer to as N-chloro-N-phenylbenzamide:
Chlorinated product, I suspect, is indeed is going to be named N‐chloro‐N‐(2,4‐dichlorophenyl)benzamide, as the first answer suggested.
References
- Naumov, P.; Topcu, Y.; Eckert-Maksić, M.; Glasovac, Z.; Pavošević, F.; Kochunnoonny, M.; Hara, H. Photoinduced Rearrangement of Aromatic N-Chloroamides to Chloroaromatic Amides in the Solid State: Inverted $Π_ce{N}–Σ_ce{N}$ Occupational Stability of Amidyl Radicals. The Journal of Physical Chemistry A 2011, 115 (26), 7834–7848. https://doi.org/10.1021/jp203771c.
answered 3 hours ago
andseliskandselisk
17.1k655115
17.1k655115
add a comment |
add a comment |
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1
$begingroup$
Try Chemspider chemspider.com
$endgroup$
– Waylander
4 hours ago
1
$begingroup$
Chemdoodle thinks it is [N-Chloro(2,4-dichlorophenyl)amino]phenylformaldehyde but there is probably a less systematic version as well.
$endgroup$
– matt_black
4 hours ago
2
$begingroup$
@matt_black Wow, that's like most complicated, but very much not systematic name I've seen.
$endgroup$
– Mithoron
4 hours ago
3
$begingroup$
@matt_black That's Chemdoodle being Chemdoodle, I think:)
$endgroup$
– andselisk
3 hours ago