N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide

C16H15BrN2O2 — CID 108515470

IUPACN-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C16H15BrN2O2/c1-10-6-7-14(11(2)8-10)19-16(21)15(20)18-13-5-3-4-12(17)9-13/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyKNRXJLLEBUPFII-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.64
Rot. Bonds2

About N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide

N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide (PubChem CID 108515470) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide
PubChem CID108515470
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC NameN-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cccc(Br)c2)c(C)c1
InChIInChI=1S/C16H15BrN2O2/c1-10-6-7-14(11(2)8-10)19-16(21)15(20)18-13-5-3-4-12(17)9-13/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyKNRXJLLEBUPFII-UHFFFAOYSA-N
XLogP3.64
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.64
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'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide
CID 108526648
N-(3-bromo-4-methylphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108986806
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N'-(3-cyanophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108986817
N'-(3-acetylphenyl)-N-(2-bromo-4-methylphenyl)oxamide
CID 108515070
N-(4-bromo-2-methylphenyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 108501480
2-(3-bromoanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266425
N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide
CID 108532618
1-(3-bromophenyl)-3-(2-fluoro-4-methylphenyl)urea
CID 46859946
(Z)-3-(4-bromo-2-methylanilino)-2-cyano-N-(3-methylphenyl)prop-2-enamide
CID 108858758
N-(3-acetamidophenyl)-N'-(2,5-dimethylphenyl)oxamide
CID 45001294
3-(3-bromophenyl)-N-(2,4-dimethylphenyl)propanamide
CID 43011240

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide?
The IUPAC name of N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide (CID 108515470) is N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide.
What is the SMILES notation for N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide?
The canonical SMILES for N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2cccc(Br)c2)c(C)c1.
What is the InChIKey of N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide?
The InChIKey is KNRXJLLEBUPFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c1-10-6-7-14(11(2)8-10)19-16(21)15(20)18-13-5-3-4-12(17)9-13/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide?
N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide has a molecular weight of 347.21 g/mol, XLogP of 3.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N'-(2,4-dimethylphenyl)oxamide is sourced from PubChem (CID 108515470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).