N-cyclopentyl-N-({3-[(4-fluorophenyl)methoxy]phenyl}methyl)-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 653100
• Molecular Formular: C29H30FN3O3
• Molecular Mass: 487.5652032
• Monoisotopic Mass: 487.22712006
• SMILES: C(=O)(N(Cc1cc(OCc2ccc(F)cc2)ccc1)C1CCCC1)c1cc(N2C(=O)NCC2)ccc1
• Canonical SMILES: Fc1ccc(cc1)COc1cccc(c1)CN(C(=O)c1cccc(c1)N1CCNC1=O)C1CCCC1
• InChI: InChI=1S/C29H30FN3O3/c30-24-13-11-21(12-14-24)20-36-27-10-3-5-22(17-27)19-33(25-7-1-2-8-25)28(34)23-6-4-9-26(18-23)32-16-15-31-29(32)35/h3-6,9-14,17-18,25H,1-2,7-8,15-16,19-20H2,(H,31,35)
• InChIKey: MYKZNZVLRFDKCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-({3-[(4-fluorophenyl)methoxy]phenyl}methyl)-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-cyclopentyl-N-({3-[(4-fluorophenyl)methoxy]phenyl}methyl)-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-cyclopentyl-N-{3-[(4-fluorobenzyl)oxy]benzyl}-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.585186
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.880299
• LogD (pH = 7.4): 4.880299
• Log P: 4.880299
• Molar Refractivity: 136.8311 cm^3
• Polarizability: 51.96156 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 5.18
• LOG S: -7.65
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 8