N'-(4-bromo-3-fluorophenyl)acetohydrazide

C8H8BrFN2O — CID 130622086

IUPACN'-(4-bromo-3-fluorophenyl)acetohydrazide
SMILESCC(=O)NNc1ccc(Br)c(F)c1
InChIInChI=1S/C8H8BrFN2O/c1-5(13)11-12-6-2-3-7(9)8(10)4-6/h2-4,12H,1H3,(H,11,13)
InChIKeyASARYZIKZQFYIW-UHFFFAOYSA-N
MW247.07 g/mol
LogP2.05
Rot. Bonds2

About N'-(4-bromo-3-fluorophenyl)acetohydrazide

N'-(4-bromo-3-fluorophenyl)acetohydrazide (PubChem CID 130622086) has the molecular formula C8H8BrFN2O and a molecular weight of 247.07 g/mol. Its IUPAC name is N'-(4-bromo-3-fluorophenyl)acetohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-3-fluorophenyl)acetohydrazide
PubChem CID130622086
Molecular FormulaC8H8BrFN2O
Molecular Weight247.07 g/mol
Exact Mass245.98
IUPAC NameN'-(4-bromo-3-fluorophenyl)acetohydrazide
SMILESCC(=O)NNc1ccc(Br)c(F)c1
InChIInChI=1S/C8H8BrFN2O/c1-5(13)11-12-6-2-3-7(9)8(10)4-6/h2-4,12H,1H3,(H,11,13)
InChIKeyASARYZIKZQFYIW-UHFFFAOYSA-N
XLogP2.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.07
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-(4-bromo-3-fluorophenyl)acetohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-3-fluorophenyl)acetohydrazide?
The IUPAC name of N'-(4-bromo-3-fluorophenyl)acetohydrazide (CID 130622086) is N'-(4-bromo-3-fluorophenyl)acetohydrazide.
What is the SMILES notation for N'-(4-bromo-3-fluorophenyl)acetohydrazide?
The canonical SMILES for N'-(4-bromo-3-fluorophenyl)acetohydrazide is CC(=O)NNc1ccc(Br)c(F)c1.
What is the InChIKey of N'-(4-bromo-3-fluorophenyl)acetohydrazide?
The InChIKey is ASARYZIKZQFYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O/c1-5(13)11-12-6-2-3-7(9)8(10)4-6/h2-4,12H,1H3,(H,11,13).
What are the key properties of N'-(4-bromo-3-fluorophenyl)acetohydrazide?
N'-(4-bromo-3-fluorophenyl)acetohydrazide has a molecular weight of 247.07 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-3-fluorophenyl)acetohydrazide is sourced from PubChem (CID 130622086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).