N-(diaminophosphoryl)-4-fluorobenzamide

• ChemBase ID: 105319
• Molecular Formular: C7H9FN3O2P
• Molecular Mass: 217.1374242
• Monoisotopic Mass: 217.04164139
• SMILES: NP(=O)(N)NC(=O)c1ccc(F)cc1
• Canonical SMILES: O=C(c1ccc(cc1)F)NP(=O)(N)N
• InChI: InChI=1S/C7H9FN3O2P/c8-6-3-1-5(2-4-6)7(12)11-14(9,10)13/h1-4H,(H5,9,10,11,12,13)
• InChIKey: QWZFVMCWPLMLTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(diaminophosphoryl)-4-fluorobenzamide
• IUPAC Traditional name: flurofamide
• Synonyms: Flurofamine; N-(DIAMINOPHOSPHINYL)-4-FLUOROBENZAMIDE

Database IDs

• CAS Number: 70788-28-2
• PubChem SID: 162092487
• PubChem CID: 51173

CALCULATED PROPERTIES

• Acid pKa: 10.654233
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.75925046
• LogD (pH = 7.4): -0.75946105
• Log P: -0.759247
• Molar Refractivity: 49.7109 cm^3
• Polarizability: 19.309006 Å^3
• Polar Surface Area: 98.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: CV3458100

DETAILS

MP Biomedicals - 02159765

Urease inhibitor