2-(4-bromo-2-methylphenoxy)-N-(naphthalen-1-yl)acetamide

• ChemBase编号: 311854
• 分子式: C19H16BrNO2
• 平均质量: 370.23984
• 单一同位素质量: 369.03644076
• SMILES: c1(NC(=O)COc2c(cc(cc2)Br)C)c2c(ccc1)cccc2
• Canonical SMILES: O=C(Nc1cccc2c1cccc2)COc1ccc(cc1C)Br
• InChI: InChI=1S/C19H16BrNO2/c1-13-11-15(20)9-10-18(13)23-12-19(22)21-17-8-4-6-14-5-2-3-7-16(14)17/h2-11H,12H2,1H3,(H,21,22)
• InChIKey: NBEXDDBZBOVOFN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(4-bromo-2-methylphenoxy)-N-(naphthalen-1-yl)acetamide
• IUPAC传统名: 2-(4-bromo-2-methylphenoxy)-N-(naphthalen-1-yl)acetamide
• 别名: 2-(4-bromo-2-methylphenoxy)-N-1-naphthylacetamide

登记号

• CAS号: 434310-11-9
• MDL号: MFCD03168463

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.9995103
• LogD (pH = 7.4): 4.9995046
• Log P: 4.999511
• 摩尔折射率: 95.9973 cm^3
• 极化性: 37.402786 Å^3
• 极化表面积: 38.33 Å^2