N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide

C17H17BrN2O2 — CID 108532418

IUPACN-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2c(C)cccc2C)ccc1Br
InChIInChI=1S/C17H17BrN2O2/c1-10-5-4-6-11(2)15(10)20-17(22)16(21)19-13-7-8-14(18)12(3)9-13/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyGUPVWINNFDDTDT-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.95
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide

N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide (PubChem CID 108532418) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
PubChem CID108532418
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
SMILESCc1cc(NC(=O)C(=O)Nc2c(C)cccc2C)ccc1Br
InChIInChI=1S/C17H17BrN2O2/c1-10-5-4-6-11(2)15(10)20-17(22)16(21)19-13-7-8-14(18)12(3)9-13/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyGUPVWINNFDDTDT-UHFFFAOYSA-N
XLogP3.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.95
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,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
1-(4-bromo-3-methylphenyl)-3-[3-[(4-bromo-3-methylphenyl)carbamoylamino]phenyl]urea
CID 139171111
methyl 3-[[2-(4-bromo-3-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108987523
3-(4-bromo-3-methylanilino)-N-(2,6-dimethylphenyl)propanamide
CID 109035823
N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 108986918
N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide
CID 108531930
N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide
CID 108532618
N-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide
CID 108531024
N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide
CID 108508123
N-(4-chlorophenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108516687
1-(4-bromo-3-methylphenyl)-3-(2,6-difluorophenyl)urea
CID 108992661
N-(4-bromo-3-methylphenyl)-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 53123941

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide (CID 108532418) is N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide is Cc1cc(NC(=O)C(=O)Nc2c(C)cccc2C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide?
The InChIKey is GUPVWINNFDDTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-10-5-4-6-11(2)15(10)20-17(22)16(21)19-13-7-8-14(18)12(3)9-13/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide?
N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide has a molecular weight of 361.24 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide is sourced from PubChem (CID 108532418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).