2-fluoro-6-hydroxy-N-[1-(pyridin-4-yl)propyl]benzamide

• ChemBase ID: 598540
• Molecular Formular: C15H15FN2O2
• Molecular Mass: 274.2902032
• Monoisotopic Mass: 274.11175595
• SMILES: C(=O)(c1c(F)cccc1O)NC(c1ccncc1)CC
• Canonical SMILES: CCC(c1ccncc1)NC(=O)c1c(O)cccc1F
• InChI: InChI=1S/C15H15FN2O2/c1-2-12(10-6-8-17-9-7-10)18-15(20)14-11(16)4-3-5-13(14)19/h3-9,12,19H,2H2,1H3,(H,18,20)
• InChIKey: KTFDLBZDCZXBHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-hydroxy-N-[1-(pyridin-4-yl)propyl]benzamide
• IUPAC Traditional name: 2-fluoro-6-hydroxy-N-[1-(pyridin-4-yl)propyl]benzamide
• Synonyms: 2-fluoro-6-hydroxy-N-(1-pyridin-4-ylpropyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 7.4128428
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.8691401
• LogD (pH = 7.4): 2.6887538
• Log P: 2.9825969
• Molar Refractivity: 73.6289 cm^3
• Polarizability: 27.668823 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.7
• LOG S: -1.63
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 4