2-chloro-5-(2-methoxypyridin-3-yl)-N-methylbenzamide

• ChemBase ID: 560228
• Molecular Formular: C14H13ClN2O2
• Molecular Mass: 276.71822
• Monoisotopic Mass: 276.06655535
• SMILES: c1(cc(c2c(nccc2)OC)ccc1Cl)C(=O)NC
• Canonical SMILES: CNC(=O)c1cc(ccc1Cl)c1cccnc1OC
• InChI: InChI=1S/C14H13ClN2O2/c1-16-13(18)11-8-9(5-6-12(11)15)10-4-3-7-17-14(10)19-2/h3-8H,1-2H3,(H,16,18)
• InChIKey: HLDZRDYUQYWABU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-(2-methoxypyridin-3-yl)-N-methylbenzamide
• IUPAC Traditional name: 2-chloro-5-(2-methoxypyridin-3-yl)-N-methylbenzamide
• Synonyms: 2-chloro-5-(2-methoxypyridin-3-yl)-N-methylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.465496
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.517232
• LogD (pH = 7.4): 2.5179367
• Log P: 2.517946
• Molar Refractivity: 74.5939 cm^3
• Polarizability: 29.453606 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.66
• LOG S: -2.63
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 3