N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide

C9H10BrN3O2 — CID 107577182

IUPACN-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide
SMILESCc1cc(Br)cc(NC(=O)C(=O)NN)c1
InChIInChI=1S/C9H10BrN3O2/c1-5-2-6(10)4-7(3-5)12-8(14)9(15)13-11/h2-4H,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyHVPDHFFAEPFQPO-UHFFFAOYSA-N
MW272.10 g/mol
LogP0.69
Rot. Bonds1

About N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide

N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide (PubChem CID 107577182) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide
PubChem CID107577182
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC NameN-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide
SMILESCc1cc(Br)cc(NC(=O)C(=O)NN)c1
InChIInChI=1S/C9H10BrN3O2/c1-5-2-6(10)4-7(3-5)12-8(14)9(15)13-11/h2-4H,11H2,1H3,(H,12,14)(H,13,15)
InChIKeyHVPDHFFAEPFQPO-UHFFFAOYSA-N
XLogP0.69
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 50.69
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'}

Analyze N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinyl-2-oxoacetamide
CID 43163865
1-(3-bromo-5-methylphenyl)-3-methylurea
CID 104938547
3-(3-bromo-5-methylphenyl)-1,1-dimethylurea
CID 110604759
N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 84542762
N-(3-bromo-5-methylphenyl)-1-carbamothioylcyclopropane-1-carboxamide
CID 107583687
1-amino-3-(3-bromo-5-methylphenyl)-2-ethylguanidine
CID 107581228
4-amino-N-(3-bromo-5-methylphenyl)oxane-4-carboxamide
CID 107583475
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
CID 107581692
N-(3-bromo-5-methylphenyl)-2-methoxy-2-methylpropanamide
CID 104938678
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
N-(3-bromo-5-methylphenyl)cyclopentanecarboxamide
CID 110604732
N-(3-bromo-5-methylphenyl)-3,3,3-trifluoropropanamide
CID 104938652

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide (CID 107577182) is N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide is Cc1cc(Br)cc(NC(=O)C(=O)NN)c1.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide?
The InChIKey is HVPDHFFAEPFQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c1-5-2-6(10)4-7(3-5)12-8(14)9(15)13-11/h2-4H,11H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide?
N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide has a molecular weight of 272.10 g/mol, XLogP of 0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 107577182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).