2-chloro-N-(2-ethoxyphenyl)acetamide

• ChemBase ID: 26932
• Molecular Formular: C10H12ClNO2
• Molecular Mass: 213.66078
• Monoisotopic Mass: 213.05565631
• SMILES: N(c1c(OCC)cccc1)C(=O)CCl
• Canonical SMILES: CCOc1ccccc1NC(=O)CCl
• InChI: InChI=1S/C10H12ClNO2/c1-2-14-9-6-4-3-5-8(9)12-10(13)7-11/h3-6H,2,7H2,1H3,(H,12,13)
• InChIKey: TXTPYAXGXUVHCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(2-ethoxyphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(2-ethoxyphenyl)acetamide
• Synonyms: 2-Chloro-N-(2-ethoxyphenyl)acetamide

Database IDs

• CAS Number: 21118-77-4
• MDL Number: MFCD00157389
• PubChem SID: 160990239
• PubChem CID: 222372

CALCULATED PROPERTIES

• Acid pKa: 11.994923
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.9474366
• LogD (pH = 7.4): 1.9474262
• Log P: 1.9474367
• Molar Refractivity: 56.886 cm^3
• Polarizability: 21.416506 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false