2-amino-N-[2-fluoro-4-(6-methoxypyridin-3-yl)phenyl]acetamide

• ChemBase ID: 496238
• Molecular Formular: C14H14FN3O2
• Molecular Mass: 275.2782632
• Monoisotopic Mass: 275.10700492
• SMILES: N(c1c(cc(c2cnc(cc2)OC)cc1)F)C(=O)CN
• Canonical SMILES: NCC(=O)Nc1ccc(cc1F)c1ccc(nc1)OC
• InChI: InChI=1S/C14H14FN3O2/c1-20-14-5-3-10(8-17-14)9-2-4-12(11(15)6-9)18-13(19)7-16/h2-6,8H,7,16H2,1H3,(H,18,19)
• InChIKey: MGLFSDVPGAYGTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[2-fluoro-4-(6-methoxypyridin-3-yl)phenyl]acetamide
• IUPAC Traditional name: 2-amino-N-[2-fluoro-4-(6-methoxypyridin-3-yl)phenyl]acetamide
• Synonyms: 2-amino-N-[2-fluoro-4-(6-methoxypyridin-3-yl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.532981
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0774932
• LogD (pH = 7.4): 0.6170476
• Log P: 1.2958674
• Molar Refractivity: 74.2531 cm^3
• Polarizability: 28.954332 Å^3
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.55
• LOG S: -1.68
• Polar Surface Area: 77.24 Å^2
• Rotatable Bonds: 4