N-(5-aminopentyl)-3-(4-fluorophenyl)-3-phenylpropanamide

• ChemBase ID: 564266
• Molecular Formular: C20H25FN2O
• Molecular Mass: 328.4237032
• Monoisotopic Mass: 328.19509165
• SMILES: C(CC(=O)NCCCCCN)(c1ccc(cc1)F)c1ccccc1
• Canonical SMILES: NCCCCCNC(=O)CC(c1ccc(cc1)F)c1ccccc1
• InChI: InChI=1S/C20H25FN2O/c21-18-11-9-17(10-12-18)19(16-7-3-1-4-8-16)15-20(24)23-14-6-2-5-13-22/h1,3-4,7-12,19H,2,5-6,13-15,22H2,(H,23,24)
• InChIKey: DJNYAJLCJXPTAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-aminopentyl)-3-(4-fluorophenyl)-3-phenylpropanamide
• IUPAC Traditional name: N-(5-aminopentyl)-3-(4-fluorophenyl)-3-phenylpropanamide
• Synonyms: N-(5-aminopentyl)-3-(4-fluorophenyl)-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.375798
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.23674071
• LogD (pH = 7.4): 0.65653205
• Log P: 3.2607286
• Molar Refractivity: 95.6063 cm^3
• Polarizability: 37.037327 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 2.83
• LOG S: -4.01
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 9