N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)acetamide

• ChemBase编号: 316165
• 分子式: C16H17ClN2O3
• 平均质量: 320.77078
• 单一同位素质量: 320.09277009
• SMILES: n1(c(=O)c(ccc1)OC)CC(=O)NCCc1ccc(Cl)cc1
• Canonical SMILES: COc1cccn(c1=O)CC(=O)NCCc1ccc(cc1)Cl
• InChI: InChI=1S/C16H17ClN2O3/c1-22-14-3-2-10-19(16(14)21)11-15(20)18-9-8-12-4-6-13(17)7-5-12/h2-7,10H,8-9,11H2,1H3,(H,18,20)
• InChIKey: FKLPOZSEAHDBQV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxy-2-oxo-1,2-dihydropyridin-1-yl)acetamide
• IUPAC传统名: N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxy-2-oxopyridin-1-yl)acetamide
• 别名: N-[2-(4-chlorophenyl)ethyl]-2-(3-methoxy-2-oxopyridin-1(2H)-yl)acetamide

理论计算性质

JChem

• Acid pKa: 14.652595
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 1.6184368
• LogD (pH = 7.4): 1.6184367
• Log P: 1.6184368
• 摩尔折射率: 86.6365 cm^3
• 极化性: 32.53521 Å^3
• 极化表面积: 58.64 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 1
• Log P: 1.63
• LOG S: -2.93
• 极化表面积: 60.33 Å^2
• 可自由旋转的化学键: 6