2-amino-N-(2-fluoro-5-methylphenyl)benzamide

• ChemBase ID: 279630
• Molecular Formular: C14H13FN2O
• Molecular Mass: 244.2642232
• Monoisotopic Mass: 244.10119127
• SMILES: C(=O)(c1c(N)cccc1)Nc1c(ccc(c1)C)F
• Canonical SMILES: Cc1ccc(c(c1)NC(=O)c1ccccc1N)F
• InChI: InChI=1S/C14H13FN2O/c1-9-6-7-11(15)13(8-9)17-14(18)10-4-2-3-5-12(10)16/h2-8H,16H2,1H3,(H,17,18)
• InChIKey: WBPPHBHPLWOZBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(2-fluoro-5-methylphenyl)benzamide
• IUPAC Traditional name: 2-amino-N-(2-fluoro-5-methylphenyl)benzamide
• Synonyms: 2-amino-N-(2-fluoro-5-methylphenyl)benzamide

Database IDs

• MDL Number: MFCD08442916
• PubChem SID: 164335540
• PubChem CID: 16228119

CALCULATED PROPERTIES

• Acid pKa: 10.419984
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.5421119
• LogD (pH = 7.4): 3.5419314
• Log P: 3.542328
• Molar Refractivity: 71.5495 cm^3
• Polarizability: 25.498392 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.643

Product Information

• Purity: 95%