2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide

• ChemBase ID: 242155
• Molecular Formular: C11H14ClNO2
• Molecular Mass: 227.68736
• Monoisotopic Mass: 227.07130637
• SMILES: N(C(=O)CCl)(Cc1c(OC)cccc1)C
• Canonical SMILES: ClCC(=O)N(Cc1ccccc1OC)C
• InChI: InChI=1S/C11H14ClNO2/c1-13(11(14)7-12)8-9-5-3-4-6-10(9)15-2/h3-6H,7-8H2,1-2H3
• InChIKey: PMTVBKHIKWPOQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
• IUPAC Traditional name: 2-chloro-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
• Synonyms: 2-chloro-N-(2-methoxybenzyl)-N-methylacetamide

Database IDs

• MDL Number: MFCD06369644
• PubChem SID: 164298065
• PubChem CID: 2450157

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.5212095
• LogD (pH = 7.4): 1.5212095
• Log P: 1.5212095
• Molar Refractivity: 60.0883 cm^3
• Polarizability: 23.256926 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.498

Product Information

• Purity: 95%