4-(4-chlorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide

• ChemBase ID: 575029
• Molecular Formular: C21H23ClN2O2
• Molecular Mass: 370.87252
• Monoisotopic Mass: 370.14480567
• SMILES: N1(C(=O)CC(C1)NC(=O)CCCc1ccc(Cl)cc1)c1ccc(cc1)C
• Canonical SMILES: O=C(NC1CN(C(=O)C1)c1ccc(cc1)C)CCCc1ccc(cc1)Cl
• InChI: InChI=1S/C21H23ClN2O2/c1-15-5-11-19(12-6-15)24-14-18(13-21(24)26)23-20(25)4-2-3-16-7-9-17(22)10-8-16/h5-12,18H,2-4,13-14H2,1H3,(H,23,25)
• InChIKey: HXJHOWFBYXUZMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-chlorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide
• IUPAC Traditional name: 4-(4-chlorophenyl)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]butanamide
• Synonyms: 4-(4-chlorophenyl)-N-[1-(4-methylphenyl)-5-oxo-3-pyrrolidinyl]butanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.925399
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.935937
• LogD (pH = 7.4): 3.9359372
• Log P: 3.9359372
• Molar Refractivity: 103.0109 cm^3
• Polarizability: 39.95538 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.64
• LOG S: -5.01
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6