2-chloro-N-[2-(naphthalen-2-yloxy)ethyl]acetamide

• ChemBase ID: 260589
• Molecular Formular: C14H14ClNO2
• Molecular Mass: 263.71946
• Monoisotopic Mass: 263.07130637
• SMILES: C(=O)(NCCOc1cc2c(cc1)cccc2)CCl
• Canonical SMILES: ClCC(=O)NCCOc1ccc2c(c1)cccc2
• InChI: InChI=1S/C14H14ClNO2/c15-10-14(17)16-7-8-18-13-6-5-11-3-1-2-4-12(11)9-13/h1-6,9H,7-8,10H2,(H,16,17)
• InChIKey: CGYGCUMMGCNLNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16335710
• PubChem SID: 164316499
• PubChem CID: 50988915

CALCULATED PROPERTIES

• Acid pKa: 13.233444
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.3642578
• LogD (pH = 7.4): 2.3642573
• Log P: 2.3642578
• Molar Refractivity: 71.1182 cm^3
• Polarizability: 28.894241 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.939

Product Information

• Purity: 95%