2-chloro-N-[2-(3-methoxyphenoxy)ethyl]acetamide

• ChemBase ID: 260591
• Molecular Formular: C11H14ClNO3
• Molecular Mass: 243.68676
• Monoisotopic Mass: 243.06622099
• SMILES: C(=O)(NCCOc1cc(OC)ccc1)CCl
• Canonical SMILES: ClCC(=O)NCCOc1cccc(c1)OC
• InChI: InChI=1S/C11H14ClNO3/c1-15-9-3-2-4-10(7-9)16-6-5-13-11(14)8-12/h2-4,7H,5-6,8H2,1H3,(H,13,14)
• InChIKey: GYSYXQDFTSYFIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[2-(3-methoxyphenoxy)ethyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[2-(3-methoxyphenoxy)ethyl]acetamide
• Synonyms: 2-chloro-N-[2-(3-methoxyphenoxy)ethyl]acetamide

Database IDs

• MDL Number: MFCD16322672
• PubChem SID: 164316501
• PubChem CID: 54592472

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2171099
• LogD (pH = 7.4): 1.2171082
• Log P: 1.2171099
• Molar Refractivity: 61.1312 cm^3
• Polarizability: 23.973486 Å^3
• Polar Surface Area: 47.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 12.778772

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.854

Product Information

• Purity: 95%