2-[(3-hydroxyphenyl)formamido]acetamide

• ChemBase ID: 275259
• Molecular Formular: C9H10N2O3
• Molecular Mass: 194.1873
• Monoisotopic Mass: 194.06914219
• SMILES: C(=O)(NCC(=O)N)c1cc(O)ccc1
• Canonical SMILES: NC(=O)CNC(=O)c1cccc(c1)O
• InChI: InChI=1S/C9H10N2O3/c10-8(13)5-11-9(14)6-2-1-3-7(12)4-6/h1-4,12H,5H2,(H2,10,13)(H,11,14)
• InChIKey: PBRAZFGTELTCJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(3-hydroxyphenyl)formamido]acetamide
• IUPAC Traditional name: 2-[(3-hydroxyphenyl)formamido]acetamide
• Synonyms: 2-[(3-hydroxyphenyl)formamido]acetamide

Database IDs

• MDL Number: MFCD11130775
• PubChem SID: 164331169
• PubChem CID: 28391013

CALCULATED PROPERTIES

• Acid pKa: 8.823487
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.5851673
• LogD (pH = 7.4): -0.6009345
• Log P: -0.5849624
• Molar Refractivity: 49.9208 cm^3
• Polarizability: 18.722536 Å^3
• Polar Surface Area: 92.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): -0.588

Product Information

• Purity: 95%