N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide

C16H14Br2N2O2 — CID 108532618

IUPACN'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2ccc(Br)cc2C)ccc1Br
InChIInChI=1S/C16H14Br2N2O2/c1-9-8-12(4-5-13(9)18)19-15(21)16(22)20-14-6-3-11(17)7-10(14)2/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyHPGZVFMEPKVTLI-UHFFFAOYSA-N
MW426.11 g/mol
LogP4.41
Rot. Bonds2

About N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide

N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide (PubChem CID 108532618) has the molecular formula C16H14Br2N2O2 and a molecular weight of 426.11 g/mol. Its IUPAC name is N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide
PubChem CID108532618
Molecular FormulaC16H14Br2N2O2
Molecular Weight426.11 g/mol
Exact Mass423.94
IUPAC NameN'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2ccc(Br)cc2C)ccc1Br
InChIInChI=1S/C16H14Br2N2O2/c1-9-8-12(4-5-13(9)18)19-15(21)16(22)20-14-6-3-11(17)7-10(14)2/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyHPGZVFMEPKVTLI-UHFFFAOYSA-N
XLogP4.41
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.11
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide
CID 108526648
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502691
N-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide
CID 108531024
methyl 4-[[2-(4-bromo-2-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108528189
N-(4-bromo-2-methylphenyl)-N'-(2-bromophenyl)oxamide
CID 108531900
N-(3-bromo-4-methylphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108986806
N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501480
N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532418
N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515470
methyl 2-[[2-(4-bromo-3-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108512532
5-bromo-N-(4-bromo-3-methylphenyl)-2-hydroxybenzamide
CID 103602071
N'-(4-amino-2-chlorophenyl)-N-(4-bromo-2-methylphenyl)oxamide
CID 108516290

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide?
The IUPAC name of N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide (CID 108532618) is N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide.
What is the SMILES notation for N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide?
The canonical SMILES for N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide is Cc1cc(NC(=O)C(=O)Nc2ccc(Br)cc2C)ccc1Br.
What is the InChIKey of N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide?
The InChIKey is HPGZVFMEPKVTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O2/c1-9-8-12(4-5-13(9)18)19-15(21)16(22)20-14-6-3-11(17)7-10(14)2/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide?
N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide has a molecular weight of 426.11 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide is sourced from PubChem (CID 108532618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).