N-[(4-chlorophenyl)(phenyl)methyl]-3-{2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}propanamide

• ChemBase ID: 389591
• Molecular Formular: C27H26ClFN2O2
• Molecular Mass: 464.9589432
• Monoisotopic Mass: 464.16668398
• SMILES: N1C(Cc2ccc(F)cc2)(CCC(=O)NC(c2ccc(cc2)Cl)c2ccccc2)CCC1=O
• Canonical SMILES: Fc1ccc(cc1)CC1(CCC(=O)NC(c2ccc(cc2)Cl)c2ccccc2)CCC(=O)N1
• InChI: InChI=1S/C27H26ClFN2O2/c28-22-10-8-21(9-11-22)26(20-4-2-1-3-5-20)30-24(32)14-16-27(17-15-25(33)31-27)18-19-6-12-23(29)13-7-19/h1-13,26H,14-18H2,(H,30,32)(H,31,33)
• InChIKey: GVSAFYKBFVADRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-chlorophenyl)(phenyl)methyl]-3-{2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}propanamide
• IUPAC Traditional name: N-[(4-chlorophenyl)(phenyl)methyl]-3-{2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl}propanamide
• Synonyms: N-[(4-chlorophenyl)(phenyl)methyl]-3-[2-(4-fluorobenzyl)-5-oxo-2-pyrrolidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 127.3598 cm^3
• Polarizability: 49.28653 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false
• Acid pKa: 12.263787
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 5.0929112
• LogD (pH = 7.4): 5.092906
• Log P: 5.0929112

供应商提供(Chembridge)

• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 8
• H Acceptors: 2
• H Donor: 2
• Log P: 4.81
• LOG S: -5.51