2-chloro-N-(naphthalen-2-yl)propanamide

• ChemBase ID: 72087
• Molecular Formular: C13H12ClNO
• Molecular Mass: 233.69348
• Monoisotopic Mass: 233.06074169
• SMILES: C(=O)(Nc1cc2c(cc1)cccc2)C(Cl)C
• Canonical SMILES: O=C(C(Cl)C)Nc1ccc2c(c1)cccc2
• InChI: InChI=1S/C13H12ClNO/c1-9(14)13(16)15-12-7-6-10-4-2-3-5-11(10)8-12/h2-9H,1H3,(H,15,16)
• InChIKey: VQEZZXHQBPMGBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(naphthalen-2-yl)propanamide
• IUPAC Traditional name: 2-chloro-N-(naphthalen-2-yl)propanamide
• Synonyms: 2-Chloro-N-2-naphthylpropanamide

Database IDs

• PubChem SID: 162103976
• PubChem CID: 3924686

CALCULATED PROPERTIES

• Acid pKa: 13.2158985
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.306541
• LogD (pH = 7.4): 3.3065403
• Log P: 3.306541
• Molar Refractivity: 66.6183 cm^3
• Polarizability: 26.377453 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT