N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide

C17H15BrN2O3 — CID 108515070

IUPACN'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C17H15BrN2O3/c1-10-6-7-15(14(18)8-10)20-17(23)16(22)19-13-5-3-4-12(9-13)11(2)21/h3-9H,1-2H3,(H,19,22)(H,20,23)
InChIKeyHNQZAJSLMARYIE-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.54
Rot. Bonds3

About N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide

N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide (PubChem CID 108515070) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide
PubChem CID108515070
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC NameN'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C17H15BrN2O3/c1-10-6-7-15(14(18)8-10)20-17(23)16(22)19-13-5-3-4-12(9-13)11(2)21/h3-9H,1-2H3,(H,19,22)(H,20,23)
InChIKeyHNQZAJSLMARYIE-UHFFFAOYSA-N
XLogP3.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515470
1-(4-acetylphenyl)-3-(2-bromo-4-methylphenyl)urea
CID 61345655
N'-(2-bromo-4-methylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500869
N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121268
3-acetyl-N-(2-bromo-4-methylphenyl)benzenesulfonamide
CID 26979454
N'-(3-acetamidophenyl)-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108526616
1-(2-bromo-4-methylphenyl)-3-(3-chlorophenyl)urea
CID 4549529
N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
CID 108506932
N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
CID 108530383
N'-(3-acetylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500714
N-(3-acetylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509256
N'-(3-acetylphenyl)-N-[(3-methylphenyl)methyl]oxamide
CID 108984777

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide?
The IUPAC name of N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide (CID 108515070) is N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide.
What is the SMILES notation for N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide?
The canonical SMILES for N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide is CC(=O)c1cccc(NC(=O)C(=O)Nc2ccc(C)cc2Br)c1.
What is the InChIKey of N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide?
The InChIKey is HNQZAJSLMARYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-10-6-7-15(14(18)8-10)20-17(23)16(22)19-13-5-3-4-12(9-13)11(2)21/h3-9H,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide?
N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide has a molecular weight of 375.22 g/mol, XLogP of 3.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide is sourced from PubChem (CID 108515070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).