4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide

C14H13ClN2O2 — CID 1473260

IUPAC4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cc(C(=O)c2ccccc2Cl)c[nH]1
InChIInChI=1S/C14H13ClN2O2/c1-17(2)14(19)12-7-9(8-16-12)13(18)10-5-3-4-6-11(10)15/h3-8,16H,1-2H3
InChIKeyTWASJZUTLZPEKD-UHFFFAOYSA-N
MW276.72 g/mol
LogP2.60
Rot. Bonds3

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

4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 1473260) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID1473260
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cc(C(=O)c2ccccc2Cl)c[nH]1
InChIInChI=1S/C14H13ClN2O2/c1-17(2)14(19)12-7-9(8-16-12)13(18)10-5-3-4-6-11(10)15/h3-8,16H,1-2H3
InChIKeyTWASJZUTLZPEKD-UHFFFAOYSA-N
XLogP2.60
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-Chlorophenyl)methyl]pyrrole-2-carboxamide
CID 3239748
Pyrrolopyridine, 20
CID 16720090
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
4-[2,3-Bis(Chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-Bis(Chloranyl)phenyl]carbonyl-1-Methyl-Pyrrol-2-Yl]carbonylamino]ethyl]-1-Methyl-Pyrrole-2-Carboxamide
CID 127021031
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
N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
CID 1473194

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide (CID 1473260) is 4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide is CN(C)C(=O)c1cc(C(=O)c2ccccc2Cl)c[nH]1.
What is the InChIKey of 4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is TWASJZUTLZPEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-17(2)14(19)12-7-9(8-16-12)13(18)10-5-3-4-6-11(10)15/h3-8,16H,1-2H3.
What are the key properties of 4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide?
4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 276.72 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorobenzoyl)-N,N-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1473260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).