N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide

C10H12BrN3O2 — CID 43163865

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C(=O)NN
InChIInChI=1S/C10H12BrN3O2/c1-5-3-7(11)4-6(2)8(5)13-9(15)10(16)14-12/h3-4H,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyOVQQLTJSVHRVKV-UHFFFAOYSA-N
MW286.13 g/mol
LogP0.99
Rot. Bonds1

About N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide

N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide (PubChem CID 43163865) has the molecular formula C10H12BrN3O2 and a molecular weight of 286.13 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide
PubChem CID43163865
Molecular FormulaC10H12BrN3O2
Molecular Weight286.13 g/mol
Exact Mass285.01
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide
SMILESCc1cc(Br)cc(C)c1NC(=O)C(=O)NN
InChIInChI=1S/C10H12BrN3O2/c1-5-3-7(11)4-6(2)8(5)13-9(15)10(16)14-12/h3-4H,12H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyOVQQLTJSVHRVKV-UHFFFAOYSA-N
XLogP0.99
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 107577182
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247
N-(4-bromo-2,6-dimethylphenyl)-N'-(2,4-dioxoimidazolidin-1-yl)oxamide
CID 99800382
N-(4-bromo-2,6-dimethylphenyl)-2,2,2-trichloroacetamide
CID 880666
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2,4-dimethylbenzamide
CID 102704950
N,N'-bis(2,4,6-tribromophenyl)oxamide
CID 89438715
N-(4-bromo-2,6-dimethylphenyl)-2-methoxyacetamide
CID 60794685
N-(4-bromo-2,6-dimethylphenyl)-2-methoxy-2-methylpropanamide
CID 103020703
1-(4-bromo-2,6-dimethylphenyl)-3-(2-hydroxyethyl)urea
CID 47237413
N-(4-bromo-2,6-dimethylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 63681085
3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 64523433
5-amino-N-(4-bromo-2,6-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 103295840

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide (CID 43163865) is N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide is Cc1cc(Br)cc(C)c1NC(=O)C(=O)NN.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide?
The InChIKey is OVQQLTJSVHRVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O2/c1-5-3-7(11)4-6(2)8(5)13-9(15)10(16)14-12/h3-4H,12H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide has a molecular weight of 286.13 g/mol, XLogP of 0.99, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 43163865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).