2-bromo-N-[4-(4-chlorophenoxy)phenyl]-2-phenylacetamide

• ChemBase编号: 84223
• 分子式: C20H15BrClNO2
• 平均质量: 416.6956
• 单一同位素质量: 414.99746841
• SMILES: N(c1ccc(cc1)Oc1ccc(cc1)Cl)C(=O)C(c1ccccc1)Br
• Canonical SMILES: O=C(C(c1ccccc1)Br)Nc1ccc(cc1)Oc1ccc(cc1)Cl
• InChI: InChI=1S/C20H15BrClNO2/c21-19(14-4-2-1-3-5-14)20(24)23-16-8-12-18(13-9-16)25-17-10-6-15(22)7-11-17/h1-13,19H,(H,23,24)
• InChIKey: XGLQPIGNKJEZEV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-bromo-N-[4-(4-chlorophenoxy)phenyl]-2-phenylacetamide
• IUPAC传统名: 2-bromo-N-[4-(4-chlorophenoxy)phenyl]-2-phenylacetamide
• 别名: N1-[4-(4-chlorophenoxy)phenyl]-2-bromo-2-phenylacetamide

登记号

• MDL号: MFCD00124859
• PubChem SID: 162071339
• PubChem CID: 2781684

理论计算性质

• Acid pKa: 13.674488
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 5.9745564
• LogD (pH = 7.4): 5.9745564
• Log P: 5.9745564
• 摩尔折射率: 104.0612 cm^3
• 极化性: 39.6205 Å^3
• 极化表面积: 38.33 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: false