3-(4-chlorophenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-phenylpropanamide

• ChemBase ID: 327637
• Molecular Formular: C20H21ClN2O3
• Molecular Mass: 372.84534
• Monoisotopic Mass: 372.12407022
• SMILES: C1(=O)N(CCNC(=O)CC(c2ccc(cc2)Cl)c2ccccc2)CCO1
• Canonical SMILES: Clc1ccc(cc1)C(c1ccccc1)CC(=O)NCCN1CCOC1=O
• InChI: InChI=1S/C20H21ClN2O3/c21-17-8-6-16(7-9-17)18(15-4-2-1-3-5-15)14-19(24)22-10-11-23-12-13-26-20(23)25/h1-9,18H,10-14H2,(H,22,24)
• InChIKey: MBGMIETUSJFQSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-chlorophenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-phenylpropanamide
• IUPAC Traditional name: 3-(4-chlorophenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-phenylpropanamide
• Synonyms: 3-(4-chlorophenyl)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.969954
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.190469
• LogD (pH = 7.4): 3.190469
• Log P: 3.190469
• Molar Refractivity: 100.0788 cm^3
• Polarizability: 38.90762 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.5
• LOG S: -4.96
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7