N'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide

C15H12Br2N4O3 — CID 19845065

IUPACN'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide
SMILESNNC(=O)c1ccccc1NC(=O)C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C15H12Br2N4O3/c16-9-5-3-6-10(17)12(9)20-15(24)14(23)19-11-7-2-1-4-8(11)13(22)21-18/h1-7H,18H2,(H,19,23)(H,20,24)(H,21,22)
InChIKeyHWHVCBUORNTWMU-UHFFFAOYSA-N
MW456.09 g/mol
LogP2.39
Rot. Bonds3

About N'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide

N'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide (PubChem CID 19845065) has the molecular formula C15H12Br2N4O3 and a molecular weight of 456.09 g/mol. Its IUPAC name is N'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide
PubChem CID19845065
Molecular FormulaC15H12Br2N4O3
Molecular Weight456.09 g/mol
Exact Mass453.93
IUPAC NameN'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide
SMILESNNC(=O)c1ccccc1NC(=O)C(=O)Nc1c(Br)cccc1Br
InChIInChI=1S/C15H12Br2N4O3/c16-9-5-3-6-10(17)12(9)20-15(24)14(23)19-11-7-2-1-4-8(11)13(22)21-18/h1-7H,18H2,(H,19,23)(H,20,24)(H,21,22)
InChIKeyHWHVCBUORNTWMU-UHFFFAOYSA-N
XLogP2.39
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.09
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

3-bromo-N-[2-(hydrazinecarbonyl)phenyl]benzamide
CID 4101681
5-bromonaphthalene-1-carbohydrazide
CID 22115886
N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
CID 117063512
2-(2-aminoethyl)-N-(2,6-dibromophenyl)benzamide
CID 107599647
N-[2-(hydrazinecarbonyl)phenyl]-2-phenoxyacetamide
CID 10613129
N-(2-bromo-6-fluorophenyl)-2-(methylamino)benzamide
CID 107601184
3-amino-N-(2-bromophenyl)-2-hydroxybenzamide
CID 113386337
1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea
CID 156854116
N-(2-bromophenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 108512305
2-[(2-bromobenzoyl)amino]-N-(4-bromophenyl)benzamide
CID 55358520
2-[2-(2,6-dibromoanilino)-2-oxoethyl]benzoic acid
CID 107596792
2-[3-[2-(hydrazinecarbonyl)phenyl]-3-oxopropanoyl]benzohydrazide
CID 141301620

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide?
The IUPAC name of N'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide (CID 19845065) is N'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide.
What is the SMILES notation for N'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide?
The canonical SMILES for N'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide is NNC(=O)c1ccccc1NC(=O)C(=O)Nc1c(Br)cccc1Br.
What is the InChIKey of N'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide?
The InChIKey is HWHVCBUORNTWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2N4O3/c16-9-5-3-6-10(17)12(9)20-15(24)14(23)19-11-7-2-1-4-8(11)13(22)21-18/h1-7H,18H2,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of N'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide?
N'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide has a molecular weight of 456.09 g/mol, XLogP of 2.39, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide is sourced from PubChem (CID 19845065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).