2-chloro-N-(2-propoxyphenyl)acetamide

• ChemBase ID: 252346
• Molecular Formular: C11H14ClNO2
• Molecular Mass: 227.68736
• Monoisotopic Mass: 227.07130637
• SMILES: N(c1c(OCCC)cccc1)C(=O)CCl
• Canonical SMILES: CCCOc1ccccc1NC(=O)CCl
• InChI: InChI=1S/C11H14ClNO2/c1-2-7-15-10-6-4-3-5-9(10)13-11(14)8-12/h3-6H,2,7-8H2,1H3,(H,13,14)
• InChIKey: VFZGUMBKRZRFTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09413282
• PubChem SID: 164308256
• PubChem CID: 16495613

CALCULATED PROPERTIES

• Acid pKa: 11.994469
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.469959
• LogD (pH = 7.4): 2.4699485
• Log P: 2.469959
• Molar Refractivity: 61.41 cm^3
• Polarizability: 23.249592 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.317

Product Information

• Purity: 95%