4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide

C13H11ClN2O2 — CID 1482334

IUPAC4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)c2ccc(Cl)cc2)c[nH]1
InChIInChI=1S/C13H11ClN2O2/c1-15-13(18)11-6-9(7-16-11)12(17)8-2-4-10(14)5-3-8/h2-7,16H,1H3,(H,15,18)
InChIKeyBDCXVTQPZMRSMB-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.26
Rot. Bonds3

About 4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide

4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide (PubChem CID 1482334) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide
PubChem CID1482334
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide
SMILESCNC(=O)c1cc(C(=O)c2ccc(Cl)cc2)c[nH]1
InChIInChI=1S/C13H11ClN2O2/c1-15-13(18)11-6-9(7-16-11)12(17)8-2-4-10(14)5-3-8/h2-7,16H,1H3,(H,15,18)
InChIKeyBDCXVTQPZMRSMB-UHFFFAOYSA-N
XLogP2.26
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl(1H-pyrrol-2-YL)methanone
CID 24370
N-2-phenylethyl-1H-pyrrole-2-carboxamide
CID 16110286
Pyrrolopyridine, 22
CID 16720093
2-(2-chloropyridin-4-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 16720432
N,N-Dimethyl-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)benzamide
CID 119081692
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 2226536
4-acetyl-N-[3-(trifluoromethyl)benzyl]-1H-pyrrole-2-carboxamide
CID 1489220
4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide
CID 1489239
2,2,2-trichloro-1-[4-(2-phenylacetyl)-1H-pyrrol-2-yl]-1-ethanone
CID 2763608
(2-Amino-5-chlorophenyl)(1H-pyrrol-2-yl)methanone
CID 284707
N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide
CID 1481809
4-(2,3-dichlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxamide
CID 1478396

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide (CID 1482334) is 4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide is CNC(=O)c1cc(C(=O)c2ccc(Cl)cc2)c[nH]1.
What is the InChIKey of 4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is BDCXVTQPZMRSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-15-13(18)11-6-9(7-16-11)12(17)8-2-4-10(14)5-3-8/h2-7,16H,1H3,(H,15,18).
What are the key properties of 4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide?
4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1482334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).