N-{3-[(cyclobutylcarbamoyl)amino]-4-fluorophenyl}propanamide

• ChemBase ID: 604147
• Molecular Formular: C14H18FN3O2
• Molecular Mass: 279.3100232
• Monoisotopic Mass: 279.13830505
• SMILES: C(=O)(Nc1cc(NC(=O)CC)ccc1F)NC1CCC1
• Canonical SMILES: CCC(=O)Nc1ccc(c(c1)NC(=O)NC1CCC1)F
• InChI: InChI=1S/C14H18FN3O2/c1-2-13(19)16-10-6-7-11(15)12(8-10)18-14(20)17-9-4-3-5-9/h6-9H,2-5H2,1H3,(H,16,19)(H2,17,18,20)
• InChIKey: HSFXSFMEVKCAHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[(cyclobutylcarbamoyl)amino]-4-fluorophenyl}propanamide
• IUPAC Traditional name: N-{3-[(cyclobutylcarbamoyl)amino]-4-fluorophenyl}propanamide
• Synonyms: N-(3-{[(cyclobutylamino)carbonyl]amino}-4-fluorophenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.397108
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 2.0921676
• LogD (pH = 7.4): 2.0921266
• Log P: 2.092168
• Molar Refractivity: 76.0129 cm^3
• Polarizability: 27.58452 Å^3
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 3
• Log P: 2.29
• LOG S: -3.19
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 4