N-(2,4-difluorophenyl)-2-hydroxyacetamide

• ChemBase ID: 242554
• Molecular Formular: C8H7F2NO2
• Molecular Mass: 187.1434864
• Monoisotopic Mass: 187.04448491
• SMILES: N(c1c(cc(cc1)F)F)C(=O)CO
• Canonical SMILES: OCC(=O)Nc1ccc(cc1F)F
• InChI: InChI=1S/C8H7F2NO2/c9-5-1-2-7(6(10)3-5)11-8(13)4-12/h1-3,12H,4H2,(H,11,13)
• InChIKey: SJJWOXOLPJSKMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,4-difluorophenyl)-2-hydroxyacetamide
• IUPAC Traditional name: N-(2,4-difluorophenyl)-2-hydroxyacetamide
• Synonyms: N-(2,4-difluorophenyl)-2-hydroxyacetamide

Database IDs

• MDL Number: MFCD12138103
• PubChem SID: 164298464
• PubChem CID: 43558872

CALCULATED PROPERTIES

• Acid pKa: 11.336895
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.6791114
• LogD (pH = 7.4): 0.6790643
• Log P: 0.679112
• Molar Refractivity: 43.056 cm^3
• Polarizability: 15.403228 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.531

Product Information

• Purity: 95%