N-cyclohexyl-N-[(4-fluorophenyl)methyl]oxolane-3-carboxamide

• ChemBase ID: 529768
• Molecular Formular: C18H24FNO2
• Molecular Mass: 305.3870632
• Monoisotopic Mass: 305.17910723
• SMILES: C(=O)(N(Cc1ccc(F)cc1)C1CCCCC1)C1COCC1
• Canonical SMILES: Fc1ccc(cc1)CN(C(=O)C1COCC1)C1CCCCC1
• InChI: InChI=1S/C18H24FNO2/c19-16-8-6-14(7-9-16)12-20(17-4-2-1-3-5-17)18(21)15-10-11-22-13-15/h6-9,15,17H,1-5,10-13H2
• InChIKey: LCARGQDSPCXPNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]oxolane-3-carboxamide
• IUPAC Traditional name: N-cyclohexyl-N-[(4-fluorophenyl)methyl]oxolane-3-carboxamide
• Synonyms: N-cyclohexyl-N-(4-fluorobenzyl)tetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2158537
• LogD (pH = 7.4): 3.215854
• Log P: 3.215854
• Molar Refractivity: 84.0982 cm^3
• Polarizability: 32.528515 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.91
• LOG S: -3.91
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4