2-fluoro-4-methylbenzamide

• ChemBase ID: 236893
• Molecular Formular: C8H8FNO
• Molecular Mass: 153.1536232
• Monoisotopic Mass: 153.0589921
• SMILES: c1(C(=O)N)c(cc(cc1)C)F
• Canonical SMILES: Cc1ccc(c(c1)F)C(=O)N
• InChI: InChI=1S/C8H8FNO/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4H,1H3,(H2,10,11)
• InChIKey: PLKJXPACQBBJDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-4-methylbenzamide
• IUPAC Traditional name: 2-fluoro-4-methylbenzamide
• Synonyms: 2-fluoro-4-methylbenzamide

Database IDs

• MDL Number: MFCD06660328
• PubChem SID: 164292803
• PubChem CID: 17750819

CALCULATED PROPERTIES

• Acid pKa: 13.041467
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.4800094
• LogD (pH = 7.4): 1.4800103
• Log P: 1.4800094
• Molar Refractivity: 40.394 cm^3
• Polarizability: 14.630196 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): 1.055

Product Information

• Purity: 95%