2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide

• ChemBase编号: 311719
• 分子式: C15H13ClINO2
• 平均质量: 401.62669
• 单一同位素质量: 400.96795434
• SMILES: N(c1c(cc(cc1)I)C)C(=O)COc1c(Cl)cccc1
• Canonical SMILES: O=C(Nc1ccc(cc1C)I)COc1ccccc1Cl
• InChI: InChI=1S/C15H13ClINO2/c1-10-8-11(17)6-7-13(10)18-15(19)9-20-14-5-3-2-4-12(14)16/h2-8H,9H2,1H3,(H,18,19)
• InChIKey: COHQNEUBKKNOGY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
• IUPAC传统名: 2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide
• 别名: 2-(2-chlorophenoxy)-N-(4-iodo-2-methylphenyl)acetamide

登记号

• CAS号: 431885-12-0
• MDL号: MFCD03140190

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.77427
• LogD (pH = 7.4): 4.7742677
• Log P: 4.7742705
• 摩尔折射率: 90.0916 cm^3
• 极化性: 34.275364 Å^3
• 极化表面积: 38.33 Å^2