2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylacetamide

• ChemBase ID: 243746
• Molecular Formular: C11H14ClNO2
• Molecular Mass: 227.68736
• Monoisotopic Mass: 227.07130637
• SMILES: C(=O)(N(Cc1cc(OC)ccc1)C)CCl
• Canonical SMILES: ClCC(=O)N(Cc1cccc(c1)OC)C
• InChI: InChI=1S/C11H14ClNO2/c1-13(11(14)7-12)8-9-4-3-5-10(6-9)15-2/h3-6H,7-8H2,1-2H3
• InChIKey: FLRJYXOMRJLWLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
• IUPAC Traditional name: 2-chloro-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
• Synonyms: 2-chloro-N-(3-methoxybenzyl)-N-methylacetamide

Database IDs

• MDL Number: MFCD06373947
• PubChem SID: 164299656
• PubChem CID: 2564767

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: 23.25672 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%