N'-(2-chloropropanoyl)-4-fluorobenzohydrazide

• ChemBase ID: 252523
• Molecular Formular: C10H10ClFN2O2
• Molecular Mass: 244.6500032
• Monoisotopic Mass: 244.04148347
• SMILES: C(=O)(NNC(=O)c1ccc(cc1)F)C(Cl)C
• Canonical SMILES: CC(C(=O)NNC(=O)c1ccc(cc1)F)Cl
• InChI: InChI=1S/C10H10ClFN2O2/c1-6(11)9(15)13-14-10(16)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,15)(H,14,16)
• InChIKey: MJFLYPJTJRUMBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(2-chloropropanoyl)-4-fluorobenzohydrazide
• IUPAC Traditional name: N'-(2-chloropropanoyl)-4-fluorobenzohydrazide
• Synonyms: N'-(2-chloropropanoyl)-4-fluorobenzohydrazide

Database IDs

• MDL Number: MFCD08444374
• PubChem SID: 164308433
• PubChem CID: 16227265

CALCULATED PROPERTIES

• Acid pKa: 6.9474382
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.4697806
• LogD (pH = 7.4): 1.0211362
• Log P: 1.4832467
• Molar Refractivity: 57.4658 cm^3
• Polarizability: 21.567263 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.798

Product Information

• Purity: 95%