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

• ChemBase编号: 311851
• 分子式: C16H15BrClNO2
• 平均质量: 368.6528
• 单一同位素质量: 366.99746841
• SMILES: N(c1c(cc(cc1)Cl)C)C(=O)COc1c(cc(cc1)Br)C
• Canonical SMILES: Clc1ccc(c(c1)C)NC(=O)COc1ccc(cc1C)Br
• InChI: InChI=1S/C16H15BrClNO2/c1-10-8-13(18)4-5-14(10)19-16(20)9-21-15-6-3-12(17)7-11(15)2/h3-8H,9H2,1-2H3,(H,19,20)
• InChIKey: ZUWAAYAVEHKCMW-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• CAS号: 434305-75-6
• MDL号: MFCD03708746

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: 33.669544 Å^3
• 极化表面积: 38.33 Å^2