N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide

C19H18N2O3 — CID 110423661

IUPACN-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C19H18N2O3/c1-13(22)14-7-9-15(10-8-14)20-19(24)17-11-12-18(23)21(17)16-5-3-2-4-6-16/h2-10,17H,11-12H2,1H3,(H,20,24)
InChIKeyILQTWJLZWLRZPN-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.02
Rot. Bonds4

About N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide

N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide (PubChem CID 110423661) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
PubChem CID110423661
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C19H18N2O3/c1-13(22)14-7-9-15(10-8-14)20-19(24)17-11-12-18(23)21(17)16-5-3-2-4-6-16/h2-10,17H,11-12H2,1H3,(H,20,24)
InChIKeyILQTWJLZWLRZPN-UHFFFAOYSA-N
XLogP3.02
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-phenyl-N-(4-propan-2-ylphenyl)pyrrolidine-2-carboxamide
CID 110419398
N-(4-acetylphenyl)-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687375
N-(4-acetylphenyl)-1-benzyl-5-oxopyrrolidine-2-carboxamide
CID 110423663
N-(3-bromo-5-methylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110614171
N-(3-acetylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373835
N-(3,5-dichlorophenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110427657
N-(3-acetylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxamide
CID 110373964
N-(3-methoxyphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110421968
N-(3-acetylphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110374202
N-(4-fluorophenyl)-5-oxo-1-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 110420365
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
5-oxo-1-phenyl-N-(2,4,6-trimethylphenyl)pyrrolidine-2-carboxamide
CID 110419517

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide (CID 110423661) is N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide is CC(=O)c1ccc(NC(=O)C2CCC(=O)N2c2ccccc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
The InChIKey is ILQTWJLZWLRZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13(22)14-7-9-15(10-8-14)20-19(24)17-11-12-18(23)21(17)16-5-3-2-4-6-16/h2-10,17H,11-12H2,1H3,(H,20,24).
What are the key properties of N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide?
N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-5-oxo-1-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110423661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).