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

• ChemBase ID: 310745
• Molecular Formular: C10H12ClNO2
• Molecular Mass: 213.66078
• Monoisotopic Mass: 213.05565631
• SMILES: c1(CNC(=O)CCl)c(OC)cccc1
• Canonical SMILES: ClCC(=O)NCc1ccccc1OC
• InChI: InChI=1S/C10H12ClNO2/c1-14-9-5-3-2-4-8(9)7-12-10(13)6-11/h2-5H,6-7H2,1H3,(H,12,13)
• InChIKey: QUPFOFYYZHSFDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 81494-04-4
• MDL Number: MFCD00752501

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.2975334
• LogD (pH = 7.4): 1.297532
• Log P: 1.2975334
• Molar Refractivity: 55.1916 cm^3
• Polarizability: 21.423811 Å^3
• Polar Surface Area: 38.33 Å^2