2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide

• ChemBase ID: 251468
• Molecular Formular: C15H16ClNO2
• Molecular Mass: 277.74604
• Monoisotopic Mass: 277.08695644
• SMILES: C(=O)(N(Cc1cc2c(cc(cc2)OC)cc1)C)CCl
• Canonical SMILES: ClCC(=O)N(Cc1ccc2c(c1)ccc(c2)OC)C
• InChI: InChI=1S/C15H16ClNO2/c1-17(15(18)9-16)10-11-3-4-13-8-14(19-2)6-5-12(13)7-11/h3-8H,9-10H2,1-2H3
• InChIKey: FRLXQFITTWILLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
• IUPAC Traditional name: 2-chloro-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylacetamide
• Synonyms: 2-chloro-N-[(6-methoxy-2-naphthyl)methyl]-N-methylacetamide

Database IDs

• MDL Number: MFCD08262827
• PubChem SID: 164307378
• PubChem CID: 9504069

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5106862
• LogD (pH = 7.4): 2.5106862
• Log P: 2.5106862
• Molar Refractivity: 76.5385 cm^3
• Polarizability: 30.73286 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.672

Product Information

• Purity: 95%