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

• ChemBase编号: 72442
• 分子式: C15H11ClF3NO
• 平均质量: 313.7021496
• 单一同位素质量: 313.04812632
• SMILES: C(c1c(NC(=O)C(c2ccccc2)Cl)cccc1)(F)(F)F
• Canonical SMILES: O=C(C(c1ccccc1)Cl)Nc1ccccc1C(F)(F)F
• InChI: InChI=1S/C15H11ClF3NO/c16-13(10-6-2-1-3-7-10)14(21)20-12-9-5-4-8-11(12)15(17,18)19/h1-9,13H,(H,20,21)
• InChIKey: UEDAIPPZGAKNTK-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 162104307
• PubChem CID: 43082465

理论计算性质

• Acid pKa: 12.0406275
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 4.5625777
• LogD (pH = 7.4): 4.5625687
• Log P: 4.5625777
• 摩尔折射率: 76.0058 cm^3
• 极化性: 27.732834 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: true

分子性质

安全信息

• 保存注意事项: IRRITANT