2-[4-(5-chloro-2-methoxypyridin-4-yl)phenyl]-N-methylacetamide

• ChemBase ID: 490261
• Molecular Formular: C15H15ClN2O2
• Molecular Mass: 290.7448
• Monoisotopic Mass: 290.08220541
• SMILES: c1(c2ccc(CC(=O)NC)cc2)c(cnc(c1)OC)Cl
• Canonical SMILES: CNC(=O)Cc1ccc(cc1)c1cc(OC)ncc1Cl
• InChI: InChI=1S/C15H15ClN2O2/c1-17-14(19)7-10-3-5-11(6-4-10)12-8-15(20-2)18-9-13(12)16/h3-6,8-9H,7H2,1-2H3,(H,17,19)
• InChIKey: SOVYVDDMCSRWNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(5-chloro-2-methoxypyridin-4-yl)phenyl]-N-methylacetamide
• IUPAC Traditional name: 2-[4-(5-chloro-2-methoxypyridin-4-yl)phenyl]-N-methylacetamide
• Synonyms: 2-[4-(5-chloro-2-methoxypyridin-4-yl)phenyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.6465
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.498079
• LogD (pH = 7.4): 2.498111
• Log P: 2.4981115
• Molar Refractivity: 78.6453 cm^3
• Polarizability: 31.506138 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.18
• LOG S: -3.18
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 4