N-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide

C17H17BrN2O2 — CID 108531024

IUPACN-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C17H17BrN2O2/c1-10-4-5-11(2)15(8-10)20-17(22)16(21)19-13-6-7-14(18)12(3)9-13/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyMIYYTJHMIRZTRH-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.95
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide

N-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide (PubChem CID 108531024) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide
PubChem CID108531024
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide
SMILESCc1ccc(C)c(NC(=O)C(=O)Nc2ccc(Br)c(C)c2)c1
InChIInChI=1S/C17H17BrN2O2/c1-10-4-5-11(2)15(8-10)20-17(22)16(21)19-13-6-7-14(18)12(3)9-13/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyMIYYTJHMIRZTRH-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'-(2,5-dimethylphenyl)-N-(4-methylphenyl)oxamide
CID 44995959
N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide
CID 108532618
N-(3-bromo-4-methylphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108986806
N-(3-acetamidophenyl)-N'-(2,5-dimethylphenyl)oxamide
CID 45001294
N'-(2,5-dimethylphenyl)-N-(3-hydroxyphenyl)oxamide
CID 45000850
N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532418
N-(3,4-dimethylphenyl)-N'-(2-hydroxy-4-methylphenyl)oxamide
CID 108523165
methyl 2-[[2-(4-bromo-3-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108512532
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
1-(4-bromophenyl)-3-(2,5-dimethylphenyl)urea
CID 108869298
N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511860
N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 108525873

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide (CID 108531024) is N-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide is Cc1ccc(C)c(NC(=O)C(=O)Nc2ccc(Br)c(C)c2)c1.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide?
The InChIKey is MIYYTJHMIRZTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-10-4-5-11(2)15(8-10)20-17(22)16(21)19-13-6-7-14(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'-(2,5-dimethylphenyl)oxamide?
N-(4-bromo-3-methylphenyl)-N'-(2,5-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'-(2,5-dimethylphenyl)oxamide is sourced from PubChem (CID 108531024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).