N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide

C12H15BrN2O2 — CID 115192249

IUPACN'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide
SMILESCc1ccc(Br)cc1CCN(C)C(=O)C(N)=O
InChIInChI=1S/C12H15BrN2O2/c1-8-3-4-10(13)7-9(8)5-6-15(2)12(17)11(14)16/h3-4,7H,5-6H2,1-2H3,(H2,14,16)
InChIKeyHUCWWHBBGXHUSQ-UHFFFAOYSA-N
MW299.17 g/mol
LogP1.24
Rot. Bonds3

About N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide

N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide (PubChem CID 115192249) has the molecular formula C12H15BrN2O2 and a molecular weight of 299.17 g/mol. Its IUPAC name is N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide.

Molecular Properties

Compound NameN'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide
PubChem CID115192249
Molecular FormulaC12H15BrN2O2
Molecular Weight299.17 g/mol
Exact Mass298.03
IUPAC NameN'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide
SMILESCc1ccc(Br)cc1CCN(C)C(=O)C(N)=O
InChIInChI=1S/C12H15BrN2O2/c1-8-3-4-10(13)7-9(8)5-6-15(2)12(17)11(14)16/h3-4,7H,5-6H2,1-2H3,(H2,14,16)
InChIKeyHUCWWHBBGXHUSQ-UHFFFAOYSA-N
XLogP1.24
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.17
LogP ≤ 51.24
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

3-(5-bromo-2-methylphenyl)propanamide
CID 175640046
N-[2-(5-bromo-2-methylphenyl)ethyl]-2-cyano-N,3-dimethylbutanamide
CID 115188674
4-[2-(5-bromo-2-methylphenyl)ethyl-methylamino]butanoic acid
CID 115218797
N-(2-amino-2-oxoethyl)-5-bromo-N,2-dimethylbenzamide
CID 65307029
4-[2-(5-bromo-2-methylphenyl)ethyl-methylamino]-3-hydroxybutanoic acid
CID 115123144
4-[2-(5-bromo-2-methylphenyl)ethyl-methylamino]-3-methylbutanoic acid
CID 115220126
1-[(5-bromo-2-methylphenyl)methyl]-1,3-dimethylurea
CID 115169289
1-methyl-1-[2-(2,3,4-trimethylphenyl)ethyl]urea
CID 115168718
N-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylacetamide
CID 115191354
2-amino-N-[2-(2,5-dimethylphenyl)ethyl]-N-methylacetamide
CID 82127686
2-(5-bromo-2-fluorophenyl)ethyl-methylcarbamic acid
CID 115171319
1-amino-N-[(5-bromo-2-methylphenyl)methyl]-N-methylcyclopropane-1-carboxamide
CID 115189906

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide?
The IUPAC name of N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide (CID 115192249) is N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide.
What is the SMILES notation for N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide?
The canonical SMILES for N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide is Cc1ccc(Br)cc1CCN(C)C(=O)C(N)=O.
What is the InChIKey of N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide?
The InChIKey is HUCWWHBBGXHUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O2/c1-8-3-4-10(13)7-9(8)5-6-15(2)12(17)11(14)16/h3-4,7H,5-6H2,1-2H3,(H2,14,16).
What are the key properties of N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide?
N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide has a molecular weight of 299.17 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-bromo-2-methylphenyl)ethyl]-N'-methyloxamide is sourced from PubChem (CID 115192249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).