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

C15H15ClN2O2 — CID 775964

IUPAC4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2)c1C
InChIInChI=1S/C15H15ClN2O2/c1-8-13(10(3)19)9(2)17-14(8)15(20)18-12-6-4-11(16)5-7-12/h4-7,17H,1-3H3,(H,18,20)
InChIKeyOXGIASHTSLAMHY-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.74
Rot. Bonds3

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

4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 775964) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID775964
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2)c1C
InChIInChI=1S/C15H15ClN2O2/c1-8-13(10(3)19)9(2)17-14(8)15(20)18-12-6-4-11(16)5-7-12/h4-7,17H,1-3H3,(H,18,20)
InChIKeyOXGIASHTSLAMHY-UHFFFAOYSA-N
XLogP3.74
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
CID 211019
4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide
CID 156612861
4-acetyl-3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 866986
4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866991
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
4-acetyl-N-(4-chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2125831
4-acetyl-N-(4-butan-2-ylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 4334620
4-acetyl-N-[2-(4-chlorophenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866990
4-acetyl-3,5-dimethyl-N-(2-phenylethyl)-1H-pyrrole-2-carboxamide
CID 867003

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 775964) is 4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2)c1C.
What is the InChIKey of 4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is OXGIASHTSLAMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-8-13(10(3)19)9(2)17-14(8)15(20)18-12-6-4-11(16)5-7-12/h4-7,17H,1-3H3,(H,18,20).
What are the key properties of 4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 775964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).