2-chloro-N-(2,4-dimethoxyphenyl)acetamide

• ChemBase ID: 26924
• Molecular Formular: C10H12ClNO3
• Molecular Mass: 229.66018
• Monoisotopic Mass: 229.05057093
• SMILES: N(c1c(cc(cc1)OC)OC)C(=O)CCl
• Canonical SMILES: ClCC(=O)Nc1ccc(cc1OC)OC
• InChI: InChI=1S/C10H12ClNO3/c1-14-7-3-4-8(9(5-7)15-2)12-10(13)6-11/h3-5H,6H2,1-2H3,(H,12,13)
• InChIKey: SPDLCISEBHCEFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2,4-dimethoxyphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2,4-dimethoxyphenyl)acetamide
• Synonyms: 2-Chloro-N-(2,4-dimethoxyphenyl)acetamide; N1-(2,4-dimethoxyphenyl)-2-chloroacetamide, tech

Database IDs

• CAS Number: 101908-41-2
• MDL Number: MFCD00750873
• PubChem SID: 160990231
• PubChem CID: 303824

CALCULATED PROPERTIES

• LogD (pH = 5.5): 1.4329574
• LogD (pH = 7.4): 1.432952
• Log P: 1.4329574
• Molar Refractivity: 58.6006 cm^3
• Polarizability: 22.134283 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 12.28631
• H Acceptors: 3
• H Donor: 1

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false