2-(2-methylphenyl)acetamide

• ChemBase ID: 270157
• Molecular Formular: C9H11NO
• Molecular Mass: 149.18974
• Monoisotopic Mass: 149.08406398
• SMILES: C(=O)(Cc1c(C)cccc1)N
• Canonical SMILES: NC(=O)Cc1ccccc1C
• InChI: InChI=1S/C9H11NO/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
• InChIKey: AZWFNQKHHGQCET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methylphenyl)acetamide
• IUPAC Traditional name: 2-(2-methylphenyl)acetamide
• Synonyms: 2-(2-methylphenyl)acetamide

Database IDs

• MDL Number: MFCD08589450
• PubChem SID: 164326067
• PubChem CID: 17145724

CALCULATED PROPERTIES

• Acid pKa: 16.629885
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3174728
• LogD (pH = 7.4): 1.3174729
• Log P: 1.3174729
• Molar Refractivity: 44.229 cm^3
• Polarizability: 16.981995 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.903

Product Information

• Purity: 95%