3-[(2-fluorophenyl)formamido]-N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N-methylpropanamide

• ChemBase ID: 567708
• Molecular Formular: C19H22FN3O3
• Molecular Mass: 359.3946832
• Monoisotopic Mass: 359.1645198
• SMILES: c1(C(=O)NCCC(=O)N(C(c2ncccc2)COC)C)c(F)cccc1
• Canonical SMILES: COCC(N(C(=O)CCNC(=O)c1ccccc1F)C)c1ccccn1
• InChI: InChI=1S/C19H22FN3O3/c1-23(17(13-26-2)16-9-5-6-11-21-16)18(24)10-12-22-19(25)14-7-3-4-8-15(14)20/h3-9,11,17H,10,12-13H2,1-2H3,(H,22,25)
• InChIKey: MPMYGCHRUPSNBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(2-fluorophenyl)formamido]-N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N-methylpropanamide
• IUPAC Traditional name: 3-[(2-fluorophenyl)formamido]-N-[2-methoxy-1-(pyridin-2-yl)ethyl]-N-methylpropanamide
• Synonyms: 2-fluoro-N-{3-[(2-methoxy-1-pyridin-2-ylethyl)(methyl)amino]-3-oxopropyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.259924
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.286568
• LogD (pH = 7.4): 1.2987646
• Log P: 1.298923
• Molar Refractivity: 95.3714 cm^3
• Polarizability: 36.349964 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.97
• LOG S: -1.35
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 8