N-[(2-chlorophenyl)methyl]-N-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

• ChemBase编号: 615962
• 分子式: C15H17ClN2O3
• 平均质量: 308.76008
• 单一同位素质量: 308.09277009
• SMILES: N(C(=O)CN1C(=O)OCC1)(Cc1c(Cl)cccc1)C1CC1
• Canonical SMILES: O=C(N(C1CC1)Cc1ccccc1Cl)CN1CCOC1=O
• InChI: InChI=1S/C15H17ClN2O3/c16-13-4-2-1-3-11(13)9-18(12-5-6-12)14(19)10-17-7-8-21-15(17)20/h1-4,12H,5-10H2
• InChIKey: YATVVJOQONLLQJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(2-chlorophenyl)methyl]-N-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• IUPAC传统名: N-[(2-chlorophenyl)methyl]-N-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
• 别名: N-(2-chlorobenzyl)-N-cyclopropyl-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide

理论计算性质

JChem

• Acid pKa: 18.307144
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.7773051
• LogD (pH = 7.4): 1.7773051
• Log P: 1.7773051
• 摩尔折射率: 78.2427 cm^3
• 极化性: 30.484783 Å^3
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 1.79
• LOG S: -2.98
• 极化表面积: 49.85 Å^2
• 可自由旋转的化学键: 5