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

C17H17BrN2O2 — CID 108530383

IUPACN-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C17H17BrN2O2/c1-3-12-6-4-5-7-14(12)19-16(21)17(22)20-15-9-8-11(2)10-13(15)18/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyICWWBIMDOHKUFD-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.90
Rot. Bonds3

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

N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide (PubChem CID 108530383) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
PubChem CID108530383
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C17H17BrN2O2/c1-3-12-6-4-5-7-14(12)19-16(21)17(22)20-15-9-8-11(2)10-13(15)18/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyICWWBIMDOHKUFD-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.90
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-(2-ethylphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108522737
N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide
CID 108532602
N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531639
N'-(2-bromo-4-methylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500869
N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide
CID 108508121
N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
CID 108506932
1-(2,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 17270131
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228982
N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521021
1-(2-bromo-4-methylphenyl)-3-[2-(2-methylphenyl)ethyl]urea
CID 52543091
1-(3,5-dimethylphenyl)-3-(2-ethylphenyl)urea
CID 108991353

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide (CID 108530383) is N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide is CCc1ccccc1NC(=O)C(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide?
The InChIKey is ICWWBIMDOHKUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-3-12-6-4-5-7-14(12)19-16(21)17(22)20-15-9-8-11(2)10-13(15)18/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide?
N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide has a molecular weight of 361.24 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide is sourced from PubChem (CID 108530383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).