N-(2-fluorophenyl)-3-[(2-phenylethyl)amino]propanamide

• ChemBase ID: 603400
• Molecular Formular: C17H19FN2O
• Molecular Mass: 286.3439632
• Monoisotopic Mass: 286.14814146
• SMILES: N(C(=O)CCNCCc1ccccc1)c1c(F)cccc1
• Canonical SMILES: O=C(Nc1ccccc1F)CCNCCc1ccccc1
• InChI: InChI=1S/C17H19FN2O/c18-15-8-4-5-9-16(15)20-17(21)11-13-19-12-10-14-6-2-1-3-7-14/h1-9,19H,10-13H2,(H,20,21)
• InChIKey: YWJIVFOOZSAWST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-fluorophenyl)-3-[(2-phenylethyl)amino]propanamide
• IUPAC Traditional name: N-(2-fluorophenyl)-3-[(2-phenylethyl)amino]propanamide
• Synonyms: N-(2-fluorophenyl)-3-[(2-phenylethyl)amino]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.941068
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.05759163
• LogD (pH = 7.4): 1.0533528
• Log P: 3.1122558
• Molar Refractivity: 83.3387 cm^3
• Polarizability: 31.425089 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.8
• LOG S: -3.68
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 7