N,N'-bis[4-(difluoromethoxy)phenyl]propanediamide

• ChemBase编号: 229151
• 分子式: C17H14F4N2O4
• 平均质量: 386.2976728
• 单一同位素质量: 386.08896982
• SMILES: C(=O)(CC(=O)Nc1ccc(OC(F)F)cc1)Nc1ccc(OC(F)F)cc1
• Canonical SMILES: FC(Oc1ccc(cc1)NC(=O)CC(=O)Nc1ccc(cc1)OC(F)F)F
• InChI: InChI=1S/C17H14F4N2O4/c18-16(19)26-12-5-1-10(2-6-12)22-14(24)9-15(25)23-11-3-7-13(8-4-11)27-17(20)21/h1-8,16-17H,9H2,(H,22,24)(H,23,25)
• InChIKey: WVEQQAJGAYMMGV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N'-bis[4-(difluoromethoxy)phenyl]propanediamide
• IUPAC传统名: N,N'-bis[4-(difluoromethoxy)phenyl]propanediamide
• 别名: N,N'-Bis-(4-difluoromethoxy-phenyl)-malonamide

登记号

• MDL号: MFCD00680135
• PubChem SID: 164285061
• PubChem CID: 3111183

理论计算性质

• Acid pKa: 13.486713
• 质子受体: 4
• 质子供体: 2
• LogD (pH = 5.5): 4.0756607
• LogD (pH = 7.4): 4.07566
• Log P: 4.0756607
• 摩尔折射率: 88.4866 cm^3
• 极化性: 32.135883 Å^3
• 极化表面积: 76.66 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 疏水性(logP): 3.108

产品相关信息

• 纯度: 95%