1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide

• ChemBase ID: 706586
• Molecular Formular: C19H25FN2O2
• Molecular Mass: 332.4124032
• Monoisotopic Mass: 332.19000627
• SMILES: N1(C(=O)CC(C1)C(=O)NCCCc1c(F)cccc1)C1CCCC1
• Canonical SMILES: O=C(C1CC(=O)N(C1)C1CCCC1)NCCCc1ccccc1F
• InChI: InChI=1S/C19H25FN2O2/c20-17-10-4-1-6-14(17)7-5-11-21-19(24)15-12-18(23)22(13-15)16-8-2-3-9-16/h1,4,6,10,15-16H,2-3,5,7-9,11-13H2,(H,21,24)
• InChIKey: JNSGHVICKMNWJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
• Synonyms: 1-cyclopentyl-N-[3-(2-fluorophenyl)propyl]-5-oxo-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.119961
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.394559
• LogD (pH = 7.4): 2.394559
• Log P: 2.394559
• Molar Refractivity: 90.5576 cm^3
• Polarizability: 34.89975 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: 2.35
• LOG S: -3.63
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 6