N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide

C16H15BrN2O2 — CID 108521021

IUPACN-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide
SMILESCc1ccc(NC(=O)C(=O)N(C)c2ccccc2)c(Br)c1
InChIInChI=1S/C16H15BrN2O2/c1-11-8-9-14(13(17)10-11)18-15(20)16(21)19(2)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,20)
InChIKeyHQFSDONHRFLHDZ-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.36
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide

N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide (PubChem CID 108521021) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide
PubChem CID108521021
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide
SMILESCc1ccc(NC(=O)C(=O)N(C)c2ccccc2)c(Br)c1
InChIInChI=1S/C16H15BrN2O2/c1-11-8-9-14(13(17)10-11)18-15(20)16(21)19(2)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,20)
InChIKeyHQFSDONHRFLHDZ-UHFFFAOYSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenylpropanediamide
CID 108953221
N-(2-fluorophenyl)-N'-methyl-N'-phenyloxamide
CID 108520782
N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide
CID 108508121
N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide
CID 110426047
N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
CID 108530383
phenyl N-(2-bromo-4-methylphenyl)carbamate
CID 3453949
N-(2-bromo-4-methylphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 113153680
N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121268
N-(2-bromo-4-methylphenyl)-2,2-diphenylacetamide
CID 1001609
2-(2-bromo-4-methylanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176370
N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
CID 108506932
N-(2-chloro-4,6-dimethylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521008

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide (CID 108521021) is N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide is Cc1ccc(NC(=O)C(=O)N(C)c2ccccc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide?
The InChIKey is HQFSDONHRFLHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-11-8-9-14(13(17)10-11)18-15(20)16(21)19(2)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide?
N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide has a molecular weight of 347.21 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide is sourced from PubChem (CID 108521021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).