N-[(2-methoxyphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1,2-dihydropyridin-1-yl]-N-propylacetamide

• ChemBase ID: 719634
• Molecular Formular: C19H21F3N2O3
• Molecular Mass: 382.3768496
• Monoisotopic Mass: 382.1504272
• SMILES: c1(c(=O)n(CC(=O)N(Cc2c(OC)cccc2)CCC)ccc1)C(F)(F)F
• Canonical SMILES: CCCN(C(=O)Cn1cccc(c1=O)C(F)(F)F)Cc1ccccc1OC
• InChI: InChI=1S/C19H21F3N2O3/c1-3-10-23(12-14-7-4-5-9-16(14)27-2)17(25)13-24-11-6-8-15(18(24)26)19(20,21)22/h4-9,11H,3,10,12-13H2,1-2H3
• InChIKey: ALEKQINCUPTDLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)-1,2-dihydropyridin-1-yl]-N-propylacetamide
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]-N-propylacetamide
• Synonyms: N-(2-methoxybenzyl)-2-[2-oxo-3-(trifluoromethyl)pyridin-1(2H)-yl]-N-propylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.246975
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5650406
• LogD (pH = 7.4): 2.5650406
• Log P: 2.5650406
• Molar Refractivity: 96.2802 cm^3
• Polarizability: 35.431225 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.1
• LOG S: -4.63
• Polar Surface Area: 51.54 Å^2
• Rotatable Bonds: 8