2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide

C24H23ClN2O3 — CID 1147071

IUPAC2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide
SMILESCC(=O)c1c(C(C)=O)c(C)n(-c2ccc(C)c(NC(=O)c3ccccc3Cl)c2)c1C
InChIInChI=1S/C24H23ClN2O3/c1-13-10-11-18(12-21(13)26-24(30)19-8-6-7-9-20(19)25)27-14(2)22(16(4)28)23(15(27)3)17(5)29/h6-12H,1-5H3,(H,26,30)
InChIKeyZIVLVLXZOKNOFW-UHFFFAOYSA-N
MW422.91 g/mol
LogP5.71
Rot. Bonds5

About 2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide

2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide (PubChem CID 1147071) has the molecular formula C24H23ClN2O3 and a molecular weight of 422.91 g/mol. Its IUPAC name is 2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide
PubChem CID1147071
Molecular FormulaC24H23ClN2O3
Molecular Weight422.91 g/mol
Exact Mass422.14
IUPAC Name2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide
SMILESCC(=O)c1c(C(C)=O)c(C)n(-c2ccc(C)c(NC(=O)c3ccccc3Cl)c2)c1C
InChIInChI=1S/C24H23ClN2O3/c1-13-10-11-18(12-21(13)26-24(30)19-8-6-7-9-20(19)25)27-14(2)22(16(4)28)23(15(27)3)17(5)29/h6-12H,1-5H3,(H,26,30)
InChIKeyZIVLVLXZOKNOFW-UHFFFAOYSA-N
XLogP5.71
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.91
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807625
N-(4-chlorophenyl)-2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxamide
CID 2742284
2-chloro-1-methyl-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 1477203
1-[4-Acetyl-1-(3-amino-4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 804666
1-[4-Acetyl-1-(3-amino-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 740470
N-[5-(3,4-diacetyl-2,5-dimethyl-1H-pyrrol-1-yl)-2-methylphenyl]-4-fluorobenzamide
CID 1109702
(2S)-2-benzoyl-4-[1-[2-(4-chlorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-4-oxo-N-phenylbutanamide
CID 2440272
N-(3-chlorophenyl)-2-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-oxoacetamide
CID 22515463
N-(4-butanoylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807573
N-(3-chloro-2-fluorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807593
N-(2-chlorophenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807608
N-(4-chloro-3-methylphenyl)-2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 59807618

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide?
The IUPAC name of 2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide (CID 1147071) is 2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide is CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(C)c(NC(=O)c3ccccc3Cl)c2)c1C.
What is the InChIKey of 2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide?
The InChIKey is ZIVLVLXZOKNOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O3/c1-13-10-11-18(12-21(13)26-24(30)19-8-6-7-9-20(19)25)27-14(2)22(16(4)28)23(15(27)3)17(5)29/h6-12H,1-5H3,(H,26,30).
What are the key properties of 2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide?
2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide has a molecular weight of 422.91 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(3,4-diacetyl-2,5-dimethylpyrrol-1-yl)-2-methylphenyl]benzamide is sourced from PubChem (CID 1147071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).