5-bromo-N-cyclohexylfuran-2-carboxamide

• ChemBase编号: 310697
• 分子式: C11H14BrNO2
• 平均质量: 272.13836
• 单一同位素质量: 271.02079069
• SMILES: c1(C(=O)NC2CCCCC2)oc(cc1)Br
• Canonical SMILES: O=C(c1ccc(o1)Br)NC1CCCCC1
• InChI: InChI=1S/C11H14BrNO2/c12-10-7-6-9(15-10)11(14)13-8-4-2-1-3-5-8/h6-8H,1-5H2,(H,13,14)
• InChIKey: PIYUOQBROIUTOD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-bromo-N-cyclohexylfuran-2-carboxamide
• IUPAC传统名: 5-bromo-N-cyclohexylfuran-2-carboxamide
• 别名: 5-bromo-N-cyclohexyl-2-furamide

登记号

• CAS号: 117845-24-6
• MDL号: MFCD00454478

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 2.3761876
• LogD (pH = 7.4): 2.3761873
• Log P: 2.3761876
• 摩尔折射率: 60.843 cm^3
• 极化性: 23.32999 Å^3
• 极化表面积: 42.24 Å^2