2-chloro-N-[1-(naphthalen-1-yl)ethyl]acetamide

• ChemBase ID: 251650
• Molecular Formular: C14H14ClNO
• Molecular Mass: 247.72006
• Monoisotopic Mass: 247.07639175
• SMILES: c1(c2c(ccc1)cccc2)C(NC(=O)CCl)C
• Canonical SMILES: ClCC(=O)NC(c1cccc2c1cccc2)C
• InChI: InChI=1S/C14H14ClNO/c1-10(16-14(17)9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,9H2,1H3,(H,16,17)
• InChIKey: FACKLPCSVDLOKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[1-(naphthalen-1-yl)ethyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[1-(naphthalen-1-yl)ethyl]acetamide
• Synonyms: 2-chloro-N-[1-(1-naphthyl)ethyl]acetamide

Database IDs

• MDL Number: MFCD08239614
• PubChem SID: 164307560
• PubChem CID: 14511503

CALCULATED PROPERTIES

• Acid pKa: 12.372508
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8612564
• LogD (pH = 7.4): 2.8612523
• Log P: 2.8612564
• Molar Refractivity: 69.5974 cm^3
• Polarizability: 28.230682 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 303 - 305°C
• Hydrophobicity(logP): 3.046

Product Information

• Purity: 95%