1-N'-(4-fluorophenyl)-1-N-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide

• ChemBase编号: 293186
• 分子式: C17H15FN2O3
• 平均质量: 314.3110032
• 单一同位素质量: 314.10667057
• SMILES: O=C(C1(C(=O)Nc2ccc(O)cc2)CC1)Nc1ccc(F)cc1
• Canonical SMILES: Oc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F
• InChI: InChI=1S/C17H15FN2O3/c18-11-1-3-12(4-2-11)19-15(22)17(9-10-17)16(23)20-13-5-7-14(21)8-6-13/h1-8,21H,9-10H2,(H,19,22)(H,20,23)
• InChIKey: FSFMBVMXIPQPMJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-N'-(4-fluorophenyl)-1-N-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
• IUPAC传统名: 1-N'-(4-fluorophenyl)-1-N-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide
• 别名: N-(4-Fluorophenyl)-N'-(4-hydroxyphenyl)cyclopropane-1,1-dicarboxamide

登记号

• CAS号: 849217-60-3
• PubChem SID: 180678717
• PubChem CID: 57810197

理论计算性质

• Acid pKa: 9.448909
• 质子受体: 3
• 质子供体: 3
• LogD (pH = 5.5): 3.0118492
• LogD (pH = 7.4): 3.0080574
• Log P: 3.0118978
• 摩尔折射率: 85.013 cm^3
• 极化性: 31.105679 Å^3
• 极化表面积: 78.43 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

产品相关信息

• 纯度: 95+%