4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide

C14H13FN2O2 — CID 31458266

IUPAC4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2ccc(F)cc2C)c1
InChIInChI=1S/C14H13FN2O2/c1-8-5-11(15)3-4-12(8)17-14(19)13-6-10(7-16-13)9(2)18/h3-7,16H,1-2H3,(H,17,19)
InChIKeyWRPJYDCZYISAMM-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.92
Rot. Bonds3

About 4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 31458266) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is 4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID31458266
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Name4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)Nc2ccc(F)cc2C)c1
InChIInChI=1S/C14H13FN2O2/c1-8-5-11(15)3-4-12(8)17-14(19)13-6-10(7-16-13)9(2)18/h3-7,16H,1-2H3,(H,17,19)
InChIKeyWRPJYDCZYISAMM-UHFFFAOYSA-N
XLogP2.92
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
CID 8867620
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 8840517
4-acetyl-N-(3-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 9072337
2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-6-fluorobenzoic acid
CID 43442816
N-(4-fluoro-2-methylphenyl)-4-iodobenzamide
CID 7980558
5-acetyl-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 18089885
4-amino-N-(4-fluoro-2-methylphenyl)benzamide
CID 16781461
N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 47177432
N-(4-fluoro-2-methylphenyl)-3,5-dihydroxybenzamide
CID 103891547
1-N,2-N-bis(4-fluoro-2-methylphenyl)benzene-1,2-dicarboxamide
CID 2811694
N-(4-fluoro-2-methylphenyl)-2-oxopropanamide
CID 143920338
4-(bromomethyl)-N-(4-fluoro-2-methylphenyl)benzamide
CID 102850738

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide (CID 31458266) is 4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)Nc2ccc(F)cc2C)c1.
What is the InChIKey of 4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WRPJYDCZYISAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-8-5-11(15)3-4-12(8)17-14(19)13-6-10(7-16-13)9(2)18/h3-7,16H,1-2H3,(H,17,19).
What are the key properties of 4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 260.27 g/mol, XLogP of 2.92, 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-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 31458266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).