2-(naphthalen-2-yl)acetamide

• ChemBase ID: 270114
• Molecular Formular: C12H11NO
• Molecular Mass: 185.22184
• Monoisotopic Mass: 185.08406398
• SMILES: C(=O)(Cc1cc2c(cc1)cccc2)N
• Canonical SMILES: NC(=O)Cc1ccc2c(c1)cccc2
• InChI: InChI=1S/C12H11NO/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H2,13,14)
• InChIKey: LVYUDSCQJGQXBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11643177
• PubChem SID: 164326024
• PubChem CID: 95293

CALCULATED PROPERTIES

• Acid pKa: 16.649445
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7935282
• LogD (pH = 7.4): 1.7935282
• Log P: 1.7935282
• Molar Refractivity: 55.638 cm^3
• Polarizability: 22.78766 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.628

Product Information

• Purity: 95%