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

• ChemBase ID: 26940
• Molecular Formular: C12H10ClNO
• Molecular Mass: 219.6669
• Monoisotopic Mass: 219.04509163
• SMILES: c1(NC(=O)CCl)c2c(ccc1)cccc2
• Canonical SMILES: ClCC(=O)Nc1cccc2c1cccc2
• InChI: InChI=1S/C12H10ClNO/c13-8-12(15)14-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H,8H2,(H,14,15)
• InChIKey: CVRUANQADYCNLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(naphthalen-1-yl)acetamide
• IUPAC Traditional name: 2-chloro-N-(naphthalen-1-yl)acetamide
• Synonyms: 2-Chloro-N-1-naphthylacetamide; 2-chloro-N-(naphthalen-1-yl)acetamide

Database IDs

• CAS Number: 832-89-3
• MDL Number: MFCD00014308
• PubChem SID: 160990247
• PubChem CID: 227313

CALCULATED PROPERTIES

• Acid pKa: 12.845496
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.7377768
• LogD (pH = 7.4): 2.7377753
• Log P: 2.7377768
• Molar Refractivity: 62.1244 cm^3
• Polarizability: 24.533968 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.948

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%