3-(2-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]-3-phenylpropanamide

• ChemBase ID: 574926
• Molecular Formular: C21H25FN2O2
• Molecular Mass: 356.4338032
• Monoisotopic Mass: 356.19000627
• SMILES: C(c1c(F)cccc1)(CC(=O)NCCN1CCOCC1)c1ccccc1
• Canonical SMILES: O=C(CC(c1ccccc1F)c1ccccc1)NCCN1CCOCC1
• InChI: InChI=1S/C21H25FN2O2/c22-20-9-5-4-8-18(20)19(17-6-2-1-3-7-17)16-21(25)23-10-11-24-12-14-26-15-13-24/h1-9,19H,10-16H2,(H,23,25)
• InChIKey: HOLNUEFRVFDMRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]-3-phenylpropanamide
• IUPAC Traditional name: 3-(2-fluorophenyl)-N-[2-(morpholin-4-yl)ethyl]-3-phenylpropanamide
• Synonyms: 3-(2-fluorophenyl)-N-[2-(4-morpholinyl)ethyl]-3-phenylpropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.193157
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.0408764
• LogD (pH = 7.4): 2.8081844
• Log P: 2.8359654
• Molar Refractivity: 100.6391 cm^3
• Polarizability: 38.84082 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.2
• LOG S: -3.43
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7