N-hydroxy-2,4-dioxo-4-phenylbutanamide

• ChemBase ID: 121899
• Molecular Formular: C10H9NO4
• Molecular Mass: 207.18276
• Monoisotopic Mass: 207.05315777
• SMILES: C(=O)(C(=O)CC(=O)c1ccccc1)NO
• Canonical SMILES: ONC(=O)C(=O)CC(=O)c1ccccc1
• InChI: InChI=1S/C10H9NO4/c12-8(6-9(13)10(14)11-15)7-4-2-1-3-5-7/h1-5,15H,6H2,(H,11,14)
• InChIKey: DABLNUYALXTKMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-2,4-dioxo-4-phenylbutanamide
• IUPAC Traditional name: N-hydroxy-2,4-dioxo-4-phenylbutanamide
• Synonyms: N-hydroxy-2,4-dioxo-4-phenylbutanamide

Database IDs

• PubChem SID: 162216252
• PubChem CID: 4528754

CALCULATED PROPERTIES

• Acid pKa: 5.1010394
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.35807732
• LogD (pH = 7.4): -1.3518053
• Log P: 0.9022171
• Molar Refractivity: 51.7377 cm^3
• Polarizability: 19.724373 Å^3
• Polar Surface Area: 83.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds