2-chloro-N-(4-propylphenyl)acetamide

• ChemBase ID: 252351
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: C(=O)(Nc1ccc(cc1)CCC)CCl
• Canonical SMILES: CCCc1ccc(cc1)NC(=O)CCl
• InChI: InChI=1S/C11H14ClNO/c1-2-3-9-4-6-10(7-5-9)13-11(14)8-12/h4-7H,2-3,8H2,1H3,(H,13,14)
• InChIKey: URRNVZNXDFJSFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-(4-propylphenyl)acetamide
• IUPAC Traditional name: 2-chloro-N-(4-propylphenyl)acetamide
• Synonyms: 2-chloro-N-(4-propylphenyl)acetamide

Database IDs

• MDL Number: MFCD09383880
• PubChem SID: 164308261
• PubChem CID: 16227179

CALCULATED PROPERTIES

• Acid pKa: 13.7494955
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1508586
• LogD (pH = 7.4): 3.1508586
• Log P: 3.1508586
• Molar Refractivity: 59.9174 cm^3
• Polarizability: 22.473932 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.331

Product Information

• Purity: 95%