2-chloro-2-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide

• ChemBase编号: 96060
• 分子式: C15H10Cl2F3NO
• 平均质量: 348.1472096
• 单一同位素质量: 347.00915397
• SMILES: N(c1ccc(cc1)C(F)(F)F)C(=O)C(c1ccccc1Cl)Cl
• Canonical SMILES: O=C(C(c1ccccc1Cl)Cl)Nc1ccc(cc1)C(F)(F)F
• InChI: InChI=1S/C15H10Cl2F3NO/c16-12-4-2-1-3-11(12)13(17)14(22)21-10-7-5-9(6-8-10)15(18,19)20/h1-8,13H,(H,21,22)
• InChIKey: WYLHGBBULDRUQZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-chloro-2-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
• IUPAC传统名: 2-chloro-2-(2-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
• 别名: N1-[4-(trifluoromethyl)phenyl]-2-chloro-2-(2-chlorophenyl)acetamide

登记号

• MDL号: MFCD00124633
• PubChem SID: 162082709
• PubChem CID: 2780907

理论计算性质

• Acid pKa: 13.114138
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 5.1666226
• LogD (pH = 7.4): 5.1666217
• Log P: 5.1666226
• 摩尔折射率: 80.8106 cm^3
• 极化性: 29.701715 Å^3
• 极化表面积: 29.1 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false