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

• ChemBase ID: 236830
• Molecular Formular: C14H14ClNO
• Molecular Mass: 247.72006
• Monoisotopic Mass: 247.07639175
• SMILES: N(C(=O)CCl)C(c1cc2c(cc1)cccc2)C
• Canonical SMILES: ClCC(=O)NC(c1ccc2c(c1)cccc2)C
• InChI: InChI=1S/C14H14ClNO/c1-10(16-14(17)9-15)12-7-6-11-4-2-3-5-13(11)8-12/h2-8,10H,9H2,1H3,(H,16,17)
• InChIKey: MAHFOVBBNTZWJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06358026
• PubChem SID: 164292740
• PubChem CID: 3679669

CALCULATED PROPERTIES

• Acid pKa: 12.400468
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8612564
• LogD (pH = 7.4): 2.8612525
• Log P: 2.8612564
• Molar Refractivity: 69.5974 cm^3
• Polarizability: 28.22984 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 201 - 203°C
• Hydrophobicity(logP): 3.046

Product Information

• Purity: 95%