1-(4-fluorophenyl)-2,2-dimethyl-N-[(1r,4r)-4-hydroxycyclohexyl]cyclopropane-1-carboxamide

• ChemBase ID: 688413
• Molecular Formular: C18H24FNO2
• Molecular Mass: 305.3870632
• Monoisotopic Mass: 305.17910723
• SMILES: C1(C(C1)(C)C)(C(=O)N[C@@H]1CC[C@H](CC1)O)c1ccc(cc1)F
• Canonical SMILES: O[C@@H]1CC[C@H](CC1)NC(=O)C1(CC1(C)C)c1ccc(cc1)F
• InChI: InChI=1S/C18H24FNO2/c1-17(2)11-18(17,12-3-5-13(19)6-4-12)16(22)20-14-7-9-15(21)10-8-14/h3-6,14-15,21H,7-11H2,1-2H3,(H,20,22)/t14-,15-,18?
• InChIKey: GYEWRGNKYYENHW-OSPTYYIOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)-2,2-dimethyl-N-[(1r,4r)-4-hydroxycyclohexyl]cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-(4-fluorophenyl)-2,2-dimethyl-N-[(1r,4r)-4-hydroxycyclohexyl]cyclopropane-1-carboxamide
• Synonyms: 1-(4-fluorophenyl)-N-(trans-4-hydroxycyclohexyl)-2,2-dimethylcyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.7238245
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.8053222
• LogD (pH = 7.4): 2.8053224
• Log P: 2.8053224
• Molar Refractivity: 83.2816 cm^3
• Polarizability: 32.457237 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.37
• LOG S: -3.45
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3