N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide

C17H17BrN2O2 — CID 108986891

IUPACN'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-3-12-5-8-13(9-6-12)19-16(21)17(22)20-14-7-4-11(2)15(18)10-14/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVWMZGPWYOBMCKW-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.90
Rot. Bonds3

About N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide

N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide (PubChem CID 108986891) has the molecular formula C17H17BrN2O2 and a molecular weight of 361.24 g/mol. Its IUPAC name is N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide.

Molecular Properties

Compound NameN'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide
PubChem CID108986891
Molecular FormulaC17H17BrN2O2
Molecular Weight361.24 g/mol
Exact Mass360.05
IUPAC NameN'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide
SMILESCCc1ccc(NC(=O)C(=O)Nc2ccc(C)c(Br)c2)cc1
InChIInChI=1S/C17H17BrN2O2/c1-3-12-5-8-13(9-6-12)19-16(21)17(22)20-14-7-4-11(2)15(18)10-14/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyVWMZGPWYOBMCKW-UHFFFAOYSA-N
XLogP3.90
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.90
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-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 108986918
N'-(3-bromophenyl)-N-(4-ethylphenyl)oxamide
CID 108522318
N-(4-ethylphenyl)-N'-(2,4,6-trimethylphenyl)oxamide
CID 45000406
N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide
CID 108984242
N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108985107
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 7845035
N-(3-bromo-4-methylphenyl)-N'-(2,4-dimethylphenyl)oxamide
CID 108986806
N-(2-amino-2-sulfanylideneethyl)-N'-(3-bromo-4-methylphenyl)oxamide
CID 63334491
3-bromo-4-methyl-N-(4-propylphenyl)benzamide
CID 81472098
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
CID 60728805
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide?
The IUPAC name of N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide (CID 108986891) is N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide.
What is the SMILES notation for N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide?
The canonical SMILES for N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide is CCc1ccc(NC(=O)C(=O)Nc2ccc(C)c(Br)c2)cc1.
What is the InChIKey of N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide?
The InChIKey is VWMZGPWYOBMCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2/c1-3-12-5-8-13(9-6-12)19-16(21)17(22)20-14-7-4-11(2)15(18)10-14/h4-10H,3H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide?
N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide has a molecular weight of 361.24 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide is sourced from PubChem (CID 108986891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).