N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide

• ChemBase ID: 367676
• Molecular Formular: C26H32FNO3
• Molecular Mass: 425.5355832
• Monoisotopic Mass: 425.23662211
• SMILES: N(C(=O)C1CCCCC1)(Cc1ccc(OCc2cc(F)ccc2)cc1)CC1OCCC1
• Canonical SMILES: Fc1cccc(c1)COc1ccc(cc1)CN(C(=O)C1CCCCC1)CC1CCCO1
• InChI: InChI=1S/C26H32FNO3/c27-23-9-4-6-21(16-23)19-31-24-13-11-20(12-14-24)17-28(18-25-10-5-15-30-25)26(29)22-7-2-1-3-8-22/h4,6,9,11-14,16,22,25H,1-3,5,7-8,10,15,17-19H2
• InChIKey: PUFJJQYJOZSOSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
• IUPAC Traditional name: N-({4-[(3-fluorophenyl)methoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)cyclohexanecarboxamide
• Synonyms: N-{4-[(3-fluorobenzyl)oxy]benzyl}-N-(tetrahydro-2-furanylmethyl)cyclohexanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.383131
• LogD (pH = 7.4): 5.383132
• Log P: 5.383132
• Molar Refractivity: 119.621 cm^3
• Polarizability: 46.465855 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 5.73
• LOG S: -5.96
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 8