2-(4-fluorophenyl)-2-hydroxy-N-[(1r,4r)-4-methoxycyclohexyl]acetamide

• ChemBase ID: 462387
• Molecular Formular: C15H20FNO3
• Molecular Mass: 281.3226032
• Monoisotopic Mass: 281.14272173
• SMILES: C(=O)(N[C@H]1CC[C@@H](CC1)OC)C(c1ccc(cc1)F)O
• Canonical SMILES: CO[C@@H]1CC[C@H](CC1)NC(=O)C(c1ccc(cc1)F)O
• InChI: InChI=1S/C15H20FNO3/c1-20-13-8-6-12(7-9-13)17-15(19)14(18)10-2-4-11(16)5-3-10/h2-5,12-14,18H,6-9H2,1H3,(H,17,19)/t12-,13-,14?
• InChIKey: GERUNUFGNGDAFX-QSPIWVMWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-2-hydroxy-N-[(1r,4r)-4-methoxycyclohexyl]acetamide
• IUPAC Traditional name: 2-(4-fluorophenyl)-2-hydroxy-N-[(1r,4r)-4-methoxycyclohexyl]acetamide
• Synonyms: 2-(4-fluorophenyl)-2-hydroxy-N-(trans-4-methoxycyclohexyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.416707
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5109495
• LogD (pH = 7.4): 1.5109453
• Log P: 1.5109495
• Molar Refractivity: 73.074 cm^3
• Polarizability: 28.39167 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.43
• LOG S: -2.47
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4