N-hydroxy-2-(naphthalen-1-yl)acetamide

• ChemBase ID: 262480
• Molecular Formular: C12H11NO2
• Molecular Mass: 201.22124
• Monoisotopic Mass: 201.0789786
• SMILES: c1(c2c(ccc1)cccc2)CC(=O)NO
• Canonical SMILES: ONC(=O)Cc1cccc2c1cccc2
• InChI: InChI=1S/C12H11NO2/c14-12(13-15)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,15H,8H2,(H,13,14)
• InChIKey: XGUXBPGHSYDTSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-2-(naphthalen-1-yl)acetamide
• IUPAC Traditional name: N-hydroxy-2-(naphthalen-1-yl)acetamide
• Synonyms: N-hydroxy-2-(naphthalen-1-yl)acetamide

Database IDs

• MDL Number: MFCD00448736
• PubChem SID: 164318390
• PubChem CID: 289794

CALCULATED PROPERTIES

• Acid pKa: 8.859035
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.7901574
• LogD (pH = 7.4): 1.7755816
• Log P: 1.7903465
• Molar Refractivity: 57.4026 cm^3
• Polarizability: 23.356499 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): 1.518

Product Information

• Purity: 95%