2-(2-chloroacetamido)-N-(4-fluorophenyl)benzamide

• ChemBase ID: 251206
• Molecular Formular: C15H12ClFN2O2
• Molecular Mass: 306.7193832
• Monoisotopic Mass: 306.05713353
• SMILES: C(=O)(c1c(NC(=O)CCl)cccc1)Nc1ccc(F)cc1
• Canonical SMILES: ClCC(=O)Nc1ccccc1C(=O)Nc1ccc(cc1)F
• InChI: InChI=1S/C15H12ClFN2O2/c16-9-14(20)19-13-4-2-1-3-12(13)15(21)18-11-7-5-10(17)6-8-11/h1-8H,9H2,(H,18,21)(H,19,20)
• InChIKey: RAORQZBJKXWLQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloroacetamido)-N-(4-fluorophenyl)benzamide
• IUPAC Traditional name: 2-(2-chloroacetamido)-N-(4-fluorophenyl)benzamide
• Synonyms: 2-[(chloroacetyl)amino]-N-(4-fluorophenyl)benzamide

Database IDs

• MDL Number: MFCD08444089
• PubChem SID: 164307116
• PubChem CID: 9391786

CALCULATED PROPERTIES

• Acid pKa: 11.203271
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9828858
• LogD (pH = 7.4): 2.982822
• Log P: 2.9828868
• Molar Refractivity: 81.4241 cm^3
• Polarizability: 29.368109 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.277

Product Information

• Purity: 95%