4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C17H19ClN2O2 — CID 866990

IUPAC4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C17H19ClN2O2/c1-10-15(12(3)21)11(2)20-16(10)17(22)19-9-8-13-4-6-14(18)7-5-13/h4-7,20H,8-9H2,1-3H3,(H,19,22)
InChIKeyCOJMWWGGWLXBFS-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.46
Rot. Bonds5

About 4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 866990) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID866990
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NCCc2ccc(Cl)cc2)c1C
InChIInChI=1S/C17H19ClN2O2/c1-10-15(12(3)21)11(2)20-16(10)17(22)19-9-8-13-4-6-14(18)7-5-13/h4-7,20H,8-9H2,1-3H3,(H,19,22)
InChIKeyCOJMWWGGWLXBFS-UHFFFAOYSA-N
XLogP3.46
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Bms-767778
CID 15950755
Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
CID 211019
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N-methyl-N-propylacetamide
CID 15950756
2-[3-(aminomethyl)-4-(2,4-dichlorophenyl)-2-methyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-diethylacetamide
CID 15950830
4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3241255
2-[2-(4-Chloro-phenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxo-acetamide
CID 11167242
N,N-Dibutyl-2-[2-(4-chloro-phenyl)-1H-indol-3-yl]-2-oxo-acetamide
CID 11223628
4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 775964
4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866992
4-acetyl-N-(4-ethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866993
4-(4-Chlorobenzoyl)-N-methyl-1H-pyrrole-2-carboxamide
CID 1482334
4-acetyl-N-[(3-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2092104

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 866990) is 4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NCCc2ccc(Cl)cc2)c1C.
What is the InChIKey of 4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is COJMWWGGWLXBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-10-15(12(3)21)11(2)20-16(10)17(22)19-9-8-13-4-6-14(18)7-5-13/h4-7,20H,8-9H2,1-3H3,(H,19,22).
What are the key properties of 4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 318.80 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 866990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).