N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide

• ChemBase编号: 126850
• 分子式: C23H22FNO4
• 平均质量: 395.4234832
• 单一同位素质量: 395.15328641
• SMILES: c1ccccc1Oc1ccc(F)cc1N(C(=O)C)Cc1cc(OC)ccc1OC
• Canonical SMILES: COc1ccc(c(c1)CN(c1cc(F)ccc1Oc1ccccc1)C(=O)C)OC
• InChI: InChI=1S/C23H22FNO4/c1-16(26)25(15-17-13-20(27-2)10-12-22(17)28-3)21-14-18(24)9-11-23(21)29-19-7-5-4-6-8-19/h4-14H,15H2,1-3H3
• InChIKey: DCRZYADKQRHHSF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
• IUPAC传统名: N-[(2,5-dimethoxyphenyl)methyl]-N-(5-fluoro-2-phenoxyphenyl)acetamide
• 别名: DAA-1106

登记号

• CAS号: 220551-92-8
• PubChem SID: 162221177
• PubChem CID: 10430788
• Chemspider ID: 8606215
• 维基百科标题: DAA-1106

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.127142
• LogD (pH = 7.4): 4.127142
• Log P: 4.127142
• 摩尔折射率: 108.0331 cm^3
• 极化性: 41.66005 Å^3
• 极化表面积: 48.0 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true