2-chloro-N-[2-(2-methoxyphenoxy)ethyl]acetamide

• ChemBase ID: 58050
• Molecular Formular: C11H14ClNO3
• Molecular Mass: 243.68676
• Monoisotopic Mass: 243.06622099
• SMILES: C(=O)(NCCOc1c(OC)cccc1)CCl
• Canonical SMILES: ClCC(=O)NCCOc1ccccc1OC
• InChI: InChI=1S/C11H14ClNO3/c1-15-9-4-2-3-5-10(9)16-7-6-13-11(14)8-12/h2-5H,6-8H2,1H3,(H,13,14)
• InChIKey: KNVHMXSCCDHSLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[2-(2-methoxyphenoxy)ethyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[2-(2-methoxyphenoxy)ethyl]acetamide
• Synonyms: 2-Chloro-N-[2-(2-methoxyphenoxy)ethyl]acetamide

Database IDs

• MDL Number: MFCD01418185
• PubChem SID: 162062813
• PubChem CID: 25323227

CALCULATED PROPERTIES

• Acid pKa: 12.794722
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2171099
• LogD (pH = 7.4): 1.2171084
• Log P: 1.2171099
• Molar Refractivity: 61.1312 cm^3
• Polarizability: 23.97493 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.504

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%