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

C17H16BrN3O3 — CID 108526648

IUPACN'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C17H16BrN3O3/c1-10-8-12(18)6-7-15(10)21-17(24)16(23)20-14-5-3-4-13(9-14)19-11(2)22/h3-9H,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyONVUVYGUPQGNTL-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.29
Rot. Bonds3

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

N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide (PubChem CID 108526648) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide
PubChem CID108526648
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC NameN'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide
SMILESCC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc(Br)cc2C)c1
InChIInChI=1S/C17H16BrN3O3/c1-10-8-12(18)6-7-15(10)21-17(24)16(23)20-14-5-3-4-13(9-14)19-11(2)22/h3-9H,1-2H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyONVUVYGUPQGNTL-UHFFFAOYSA-N
XLogP3.29
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108515470
N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501480
N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide
CID 108532618
N-(4-bromo-2-methylphenyl)-N'-(2-bromophenyl)oxamide
CID 108531900
N-(3-acetamidophenyl)-N'-(2,5-dimethylphenyl)oxamide
CID 45001294
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502691
N'-(3-acetamidophenyl)-N-(2-hydroxy-4-methylphenyl)oxamide
CID 108526616
1-(4-bromo-2-methylphenyl)-3-(3-fluorophenyl)urea
CID 54911411
methyl 4-[[2-(4-bromo-2-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108528189
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
1-(4-bromo-2-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839711
N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide?
The IUPAC name of N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide (CID 108526648) is N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide.
What is the SMILES notation for N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide?
The canonical SMILES for N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide is CC(=O)Nc1cccc(NC(=O)C(=O)Nc2ccc(Br)cc2C)c1.
What is the InChIKey of N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide?
The InChIKey is ONVUVYGUPQGNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-10-8-12(18)6-7-15(10)21-17(24)16(23)20-14-5-3-4-13(9-14)19-11(2)22/h3-9H,1-2H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide?
N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide has a molecular weight of 390.24 g/mol, XLogP of 3.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide is sourced from PubChem (CID 108526648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).