4-fluoro-N-[4-(hydrazinecarbonyl)phenyl]benzamide

• ChemBase ID: 33224
• Molecular Formular: C14H12FN3O2
• Molecular Mass: 273.2623832
• Monoisotopic Mass: 273.09135486
• SMILES: C(=O)(Nc1ccc(C(=O)NN)cc1)c1ccc(cc1)F
• Canonical SMILES: NNC(=O)c1ccc(cc1)NC(=O)c1ccc(cc1)F
• InChI: InChI=1S/C14H12FN3O2/c15-11-5-1-9(2-6-11)13(19)17-12-7-3-10(4-8-12)14(20)18-16/h1-8H,16H2,(H,17,19)(H,18,20)
• InChIKey: OAPYNKXLVTWAOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
• IUPAC Traditional name: 4-fluoro-N-[4-(hydrazinecarbonyl)phenyl]benzamide
• Synonyms: 4-Fluoro-N-[4-(hydrazinocarbonyl)phenyl]benzamide

Database IDs

• MDL Number: MFCD02255666
• PubChem SID: 160996531
• PubChem CID: 25219121

CALCULATED PROPERTIES

• Acid pKa: 11.430084
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.7611008
• LogD (pH = 7.4): 1.7619474
• Log P: 1.7619971
• Molar Refractivity: 75.3704 cm^3
• Polarizability: 26.892162 Å^3
• Polar Surface Area: 84.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false