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

• ChemBase ID: 253924
• Molecular Formular: C16H18ClNO2
• Molecular Mass: 291.77262
• Monoisotopic Mass: 291.1026065
• SMILES: C(=O)(N(Cc1cc2c(cc(cc2)OC)cc1)C)C(Cl)C
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)CN(C(=O)C(Cl)C)C
• InChI: InChI=1S/C16H18ClNO2/c1-11(17)16(19)18(2)10-12-4-5-14-9-15(20-3)7-6-13(14)8-12/h4-9,11H,10H2,1-3H3
• InChIKey: KCHRKTNXLDUKCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18838616
• PubChem SID: 164309834
• PubChem CID: 54592436

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0794504
• LogD (pH = 7.4): 3.0794504
• Log P: 3.0794504
• Molar Refractivity: 81.0324 cm^3
• Polarizability: 32.577316 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.201

Product Information

• Purity: 95%