4-cyclobutaneamido-N-[2-(2-fluorophenyl)ethyl]benzamide

• ChemBase ID: 490934
• Molecular Formular: C20H21FN2O2
• Molecular Mass: 340.3913432
• Monoisotopic Mass: 340.15870614
• SMILES: C(=O)(Nc1ccc(C(=O)NCCc2c(F)cccc2)cc1)C1CCC1
• Canonical SMILES: O=C(C1CCC1)Nc1ccc(cc1)C(=O)NCCc1ccccc1F
• InChI: InChI=1S/C20H21FN2O2/c21-18-7-2-1-4-14(18)12-13-22-19(24)16-8-10-17(11-9-16)23-20(25)15-5-3-6-15/h1-2,4,7-11,15H,3,5-6,12-13H2,(H,22,24)(H,23,25)
• InChIKey: LGQPXVZWTMOVKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-cyclobutaneamido-N-[2-(2-fluorophenyl)ethyl]benzamide
• IUPAC Traditional name: 4-cyclobutaneamido-N-[2-(2-fluorophenyl)ethyl]benzamide
• Synonyms: 4-[(cyclobutylcarbonyl)amino]-N-[2-(2-fluorophenyl)ethyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.449758
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.6654735
• LogD (pH = 7.4): 3.6654732
• Log P: 3.6654737
• Molar Refractivity: 96.4803 cm^3
• Polarizability: 35.77242 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 3.33
• LOG S: -4.52
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 6