N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide

C12H15BrN2O3 — CID 47228982

IUPACN-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)CO)c(Br)c1
InChIInChI=1S/C12H15BrN2O3/c1-7-3-4-10(9(13)5-7)15-12(18)11(17)14-8(2)6-16/h3-5,8,16H,6H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyXLZHUPKJEIMZKF-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.19
Rot. Bonds3

About N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide

N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide (PubChem CID 47228982) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
PubChem CID47228982
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC NameN-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(C)CO)c(Br)c1
InChIInChI=1S/C12H15BrN2O3/c1-7-3-4-10(9(13)5-7)15-12(18)11(17)14-8(2)6-16/h3-5,8,16H,6H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyXLZHUPKJEIMZKF-UHFFFAOYSA-N
XLogP1.19
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide
CID 108508121
1-(2-bromo-4-methylphenyl)-3-[(2S)-pentan-2-yl]urea
CID 51928198
N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide
CID 108532602
1-(2-bromo-4-methylphenyl)-3-(4-hydroxy-3-methylsulfanylbutan-2-yl)urea
CID 111442947
N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
CID 108506932
N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
CID 108530383
1-(2,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890301
N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228940
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
N-(2,5-dimethylphenyl)-N'-(4-hydroxy-3-methylbutan-2-yl)oxamide
CID 111798967
N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121268
N-(2-bromo-4-methylphenyl)-2-chloropropanamide
CID 18877665

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide (CID 47228982) is N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide is Cc1ccc(NC(=O)C(=O)NC(C)CO)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The InChIKey is XLZHUPKJEIMZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-7-3-4-10(9(13)5-7)15-12(18)11(17)14-8(2)6-16/h3-5,8,16H,6H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide has a molecular weight of 315.17 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide is sourced from PubChem (CID 47228982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).