2-(4-bromo-2-methylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide

• ChemBase编号: 311849
• 分子式: C16H15BrClNO2
• 平均质量: 368.6528
• 单一同位素质量: 366.99746841
• SMILES: c1(cc(NC(=O)COc2c(cc(cc2)Br)C)ccc1C)Cl
• Canonical SMILES: O=C(Nc1ccc(c(c1)Cl)C)COc1ccc(cc1C)Br
• InChI: InChI=1S/C16H15BrClNO2/c1-10-3-5-13(8-14(10)18)19-16(20)9-21-15-6-4-12(17)7-11(15)2/h3-8H,9H2,1-2H3,(H,19,20)
• InChIKey: BQYAEMDDLAACKE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-bromo-2-methylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
• IUPAC传统名: 2-(4-bromo-2-methylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
• 别名: 2-(4-bromo-2-methylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide

登记号

• CAS号: 434303-68-1
• MDL号: MFCD03708510

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 5.1274996
• LogD (pH = 7.4): 5.127497
• Log P: 5.1275
• 摩尔折射率: 89.3931 cm^3
• 极化性: 33.672287 Å^3
• 极化表面积: 38.33 Å^2