N-[1-(2-chlorophenyl)ethyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide

• ChemBase ID: 384596
• Molecular Formular: C20H23ClN2O3
• Molecular Mass: 374.86122
• Monoisotopic Mass: 374.13972029
• SMILES: N1C(Cc2occc2)(CCC(=O)NC(c2c(Cl)cccc2)C)CCC1=O
• Canonical SMILES: O=C(NC(c1ccccc1Cl)C)CCC1(CCC(=O)N1)Cc1ccco1
• InChI: InChI=1S/C20H23ClN2O3/c1-14(16-6-2-3-7-17(16)21)22-18(24)8-10-20(11-9-19(25)23-20)13-15-5-4-12-26-15/h2-7,12,14H,8-11,13H2,1H3,(H,22,24)(H,23,25)
• InChIKey: GAXQNVHVVDZRBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-chlorophenyl)ethyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
• IUPAC Traditional name: N-[1-(2-chlorophenyl)ethyl]-3-[2-(furan-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanamide
• Synonyms: N-[1-(2-chlorophenyl)ethyl]-3-[2-(2-furylmethyl)-5-oxo-2-pyrrolidinyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.239947
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.4140894
• LogD (pH = 7.4): 2.414089
• Log P: 2.4140894
• Molar Refractivity: 99.7807 cm^3
• Polarizability: 38.778923 Å^3
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.81
• LOG S: -3.16
• Polar Surface Area: 71.34 Å^2
• Rotatable Bonds: 7