2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide

C11H14BrFN2O — CID 116845964

IUPAC2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide
SMILESCN(N)C(=O)C(C)(C)c1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFN2O/c1-11(2,10(16)15(3)14)8-6-7(12)4-5-9(8)13/h4-6H,14H2,1-3H3
InChIKeyULKZJVDAMVMOHR-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.20
Rot. Bonds2

About 2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide

2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide (PubChem CID 116845964) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide
PubChem CID116845964
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC Name2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide
SMILESCN(N)C(=O)C(C)(C)c1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFN2O/c1-11(2,10(16)15(3)14)8-6-7(12)4-5-9(8)13/h4-6H,14H2,1-3H3
InChIKeyULKZJVDAMVMOHR-UHFFFAOYSA-N
XLogP2.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.20
H-Bond Donors ≤ 51
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-(5-bromo-2-fluorophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 82967482
(1R)-1-amino-1-(5-bromo-2-fluorophenyl)propan-1-ol
CID 172687592
2-(5-chloro-2-methoxyphenyl)-N,2-dimethylpropanehydrazide
CID 116845891
1-(5-bromo-2-fluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839454
2-(5-bromo-2-fluorophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 103879018
3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide
CID 115154940
ethyl 3-(5-bromo-2-fluorophenyl)-3-hydroxy-2,2-dimethylbutanoate
CID 82973567
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 115154702
N-(5-bromo-2-fluorophenyl)-N-methylacetamide
CID 115191064
N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178878
1-(5-bromo-2-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 79743593
(2R)-2-[(1R)-1-amino-1-(5-bromo-2-fluorophenyl)ethyl]cyclopropan-1-ol
CID 90441828

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide (CID 116845964) is 2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide is CN(N)C(=O)C(C)(C)c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide?
The InChIKey is ULKZJVDAMVMOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-11(2,10(16)15(3)14)8-6-7(12)4-5-9(8)13/h4-6H,14H2,1-3H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide?
2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide has a molecular weight of 289.15 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-N,2-dimethylpropanehydrazide is sourced from PubChem (CID 116845964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).