N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide

C16H14BrNO2 — CID 47121268

IUPACN-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C16H14BrNO2/c1-10-3-6-12(7-4-10)15(19)16(20)18-14-8-5-11(2)9-13(14)17/h3-9H,1-2H3,(H,18,20)
InChIKeyOLEPJXLSGGNGPP-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.89
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide

N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide (PubChem CID 47121268) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
PubChem CID47121268
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)Nc2ccc(C)cc2Br)cc1
InChIInChI=1S/C16H14BrNO2/c1-10-3-6-12(7-4-10)15(19)16(20)18-14-8-5-11(2)9-13(14)17/h3-9H,1-2H3,(H,18,20)
InChIKeyOLEPJXLSGGNGPP-UHFFFAOYSA-N
XLogP3.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.89
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'-tert-butyloxamide
CID 108506932
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121219
N-(2-bromo-4-methylphenyl)-4-(hydroxymethyl)benzamide
CID 2089579
N'-(2-bromo-4-methylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500869
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2,4-dibromophenyl)-4-methylbenzamide
CID 2707201
N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide
CID 108515070
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
CID 108530383
1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
CID 61345655
N-(2-bromo-4-methylphenyl)-4-ethylbenzamide
CID 2547142
N-(2-bromo-4-methylphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 47335620

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide (CID 47121268) is N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)Nc2ccc(C)cc2Br)cc1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is OLEPJXLSGGNGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-10-3-6-12(7-4-10)15(19)16(20)18-14-8-5-11(2)9-13(14)17/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide?
N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 332.20 g/mol, XLogP of 3.89, 3 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)-2-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 47121268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).