5-acetyl-2-amino-4-hydroxybenzamide

• ChemBase ID: 79582
• Molecular Formular: C9H10N2O3
• Molecular Mass: 194.1873
• Monoisotopic Mass: 194.06914219
• SMILES: O=C(c1c(cc(c(c1)C(=O)C)O)N)N
• Canonical SMILES: CC(=O)c1cc(C(=O)N)c(cc1O)N
• InChI: InChI=1S/C9H10N2O3/c1-4(12)5-2-6(9(11)14)7(10)3-8(5)13/h2-3,13H,10H2,1H3,(H2,11,14)
• InChIKey: GUIBTOIMXFHIJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-acetyl-2-amino-4-hydroxybenzamide
• IUPAC Traditional name: 5-acetyl-2-amino-4-hydroxybenzamide
• Synonyms: 5-acetyl-2-amino-4-hydroxybenzamide

Database IDs

• MDL Number: MFCD00662899
• PubChem SID: 162044345
• PubChem CID: 2775234

CALCULATED PROPERTIES

• Acid pKa: 9.327588
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.54895926
• LogD (pH = 7.4): 0.5439809
• Log P: 0.54904234
• Molar Refractivity: 52.2205 cm^3
• Polarizability: 18.708807 Å^3
• Polar Surface Area: 106.41 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true