2-bromo-4-fluorobenzohydrazide

C7H6BrFN2O — CID 16780865

IUPAC2-bromo-4-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C7H6BrFN2O/c8-6-3-4(9)1-2-5(6)7(12)11-10/h1-3H,10H2,(H,11,12)
InChIKeyHIUHLJRBJBYPGV-UHFFFAOYSA-N
MW233.04 g/mol
LogP1.19
Rot. Bonds1

About 2-bromo-4-fluorobenzohydrazide

2-bromo-4-fluorobenzohydrazide (PubChem CID 16780865) has the molecular formula C7H6BrFN2O and a molecular weight of 233.04 g/mol. Its IUPAC name is 2-bromo-4-fluorobenzohydrazide.

Molecular Properties

Compound Name2-bromo-4-fluorobenzohydrazide
PubChem CID16780865
Molecular FormulaC7H6BrFN2O
Molecular Weight233.04 g/mol
Exact Mass231.96
IUPAC Name2-bromo-4-fluorobenzohydrazide
SMILESNNC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C7H6BrFN2O/c8-6-3-4(9)1-2-5(6)7(12)11-10/h1-3H,10H2,(H,11,12)
InChIKeyHIUHLJRBJBYPGV-UHFFFAOYSA-N
XLogP1.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
2-bromo-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 24710516
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-bromo-4-fluorobenzamide
CID 104579471
2-bromo-N-(4-bromobutyl)-4-fluorobenzamide
CID 106845591
ethyl 2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61498783
2-bromo-N-(3-carbamothioylpentan-3-yl)-4-fluorobenzamide
CID 61120812
N-[3-(aminomethyl)pentan-3-yl]-2-bromo-4-fluorobenzamide;hydrochloride
CID 119570474
2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide
CID 135362392
2-bromo-N-(2,3-dihydroxypropyl)-4-fluorobenzamide
CID 66175984
2-bromo-N-(3,3-dimethylbutyl)-4-fluorobenzamide
CID 115580238
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389
2-bromo-4-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60666175

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluorobenzohydrazide?
The IUPAC name of 2-bromo-4-fluorobenzohydrazide (CID 16780865) is 2-bromo-4-fluorobenzohydrazide.
What is the SMILES notation for 2-bromo-4-fluorobenzohydrazide?
The canonical SMILES for 2-bromo-4-fluorobenzohydrazide is NNC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluorobenzohydrazide?
The InChIKey is HIUHLJRBJBYPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O/c8-6-3-4(9)1-2-5(6)7(12)11-10/h1-3H,10H2,(H,11,12).
What are the key properties of 2-bromo-4-fluorobenzohydrazide?
2-bromo-4-fluorobenzohydrazide has a molecular weight of 233.04 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluorobenzohydrazide is sourced from PubChem (CID 16780865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).