4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide

C23H17ClN2O — CID 134096030

IUPAC4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide
SMILESO=C(Nn1c(-c2ccccc2)ccc1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O/c24-20-13-11-19(12-14-20)23(27)25-26-21(17-7-3-1-4-8-17)15-16-22(26)18-9-5-2-6-10-18/h1-16H,(H,25,27)
InChIKeyRWWUUUQYAQEHQU-UHFFFAOYSA-N
MW372.86 g/mol
LogP5.86
Rot. Bonds4

About 4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide

4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide (PubChem CID 134096030) has the molecular formula C23H17ClN2O and a molecular weight of 372.86 g/mol. Its IUPAC name is 4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide
PubChem CID134096030
Molecular FormulaC23H17ClN2O
Molecular Weight372.86 g/mol
Exact Mass372.10
IUPAC Name4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide
SMILESO=C(Nn1c(-c2ccccc2)ccc1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H17ClN2O/c24-20-13-11-19(12-14-20)23(27)25-26-21(17-7-3-1-4-8-17)15-16-22(26)18-9-5-2-6-10-18/h1-16H,(H,25,27)
InChIKeyRWWUUUQYAQEHQU-UHFFFAOYSA-N
XLogP5.86
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.86
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-(4-chlorophenyl)methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 6882945
N-[3-(4-chlorophenyl)-1,5-diphenyl-1,2,4-triazol-1-ium-4-yl]benzamide
CID 10671291
3-[1-[(2,4-dichlorobenzoyl)amino]-5-phenylpyrrol-2-yl]propanoic acid
CID 1255522
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
4-chloro-N-[2-oxo-2-(4-phenylphenyl)ethyl]benzamide
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4-chloro-N-(2-methyl-3-oxo-6-phenyl-5H-1,2,4-triazin-4-yl)benzamide
CID 15149788
4-chloro-N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]benzamide
CID 10291991
[(4-chlorobenzoyl)amino]-phenylazanium
CID 3649711
4-chloro-N-hydroxybenzamide
CID 587178
N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]-4-ethylbenzamide
CID 23740001
4-chloro-N-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]benzamide
CID 1100992
2-(4-chlorophenyl)-1,5-diphenylpyrrole
CID 12741718

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide?
The IUPAC name of 4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide (CID 134096030) is 4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide is O=C(Nn1c(-c2ccccc2)ccc1-c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide?
The InChIKey is RWWUUUQYAQEHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O/c24-20-13-11-19(12-14-20)23(27)25-26-21(17-7-3-1-4-8-17)15-16-22(26)18-9-5-2-6-10-18/h1-16H,(H,25,27).
What are the key properties of 4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide?
4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide has a molecular weight of 372.86 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide is sourced from PubChem (CID 134096030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).