N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-4-fluorobenzamide

• ChemBase ID: 553216
• Molecular Formular: C22H24FNO2
• Molecular Mass: 353.4298632
• Monoisotopic Mass: 353.17910723
• SMILES: N(C(=O)c1ccc(cc1)F)(C1CC1)Cc1ccc(OCC2CCC2)cc1
• Canonical SMILES: O=C(c1ccc(cc1)F)N(C1CC1)Cc1ccc(cc1)OCC1CCC1
• InChI: InChI=1S/C22H24FNO2/c23-19-8-6-18(7-9-19)22(25)24(20-10-11-20)14-16-4-12-21(13-5-16)26-15-17-2-1-3-17/h4-9,12-13,17,20H,1-3,10-11,14-15H2
• InChIKey: KRVFGKLSKXVAIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-4-fluorobenzamide
• IUPAC Traditional name: N-{[4-(cyclobutylmethoxy)phenyl]methyl}-N-cyclopropyl-4-fluorobenzamide
• Synonyms: N-[4-(cyclobutylmethoxy)benzyl]-N-cyclopropyl-4-fluorobenzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6714525
• LogD (pH = 7.4): 4.6714525
• Log P: 4.6714525
• Molar Refractivity: 99.9762 cm^3
• Polarizability: 38.193066 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.81
• LOG S: -5.41
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7