N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide

C19H21BrN2O2 — CID 108532602

IUPACN-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C19H21BrN2O2/c1-4-13(3)14-7-5-6-8-16(14)21-18(23)19(24)22-17-10-9-12(2)11-15(17)20/h5-11,13H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJEPWLBNUMSLFED-UHFFFAOYSA-N
MW389.29 g/mol
LogP4.85
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide

N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide (PubChem CID 108532602) has the molecular formula C19H21BrN2O2 and a molecular weight of 389.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide
PubChem CID108532602
Molecular FormulaC19H21BrN2O2
Molecular Weight389.29 g/mol
Exact Mass388.08
IUPAC NameN-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C19H21BrN2O2/c1-4-13(3)14-7-5-6-8-16(14)21-18(23)19(24)22-17-10-9-12(2)11-15(17)20/h5-11,13H,4H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyJEPWLBNUMSLFED-UHFFFAOYSA-N
XLogP4.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.85
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-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
CID 108530383
N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108509668
N-(2-butan-2-ylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515395
1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea
CID 108888011
N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511864
ethyl 2-(2-butan-2-ylanilino)-2-oxoacetate
CID 3687050
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228982
ethyl 2-[[2-(2-butan-2-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108501945
N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509432
N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide
CID 108508121
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide (CID 108532602) is N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide is CCC(C)c1ccccc1NC(=O)C(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide?
The InChIKey is JEPWLBNUMSLFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2/c1-4-13(3)14-7-5-6-8-16(14)21-18(23)19(24)22-17-10-9-12(2)11-15(17)20/h5-11,13H,4H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide?
N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide has a molecular weight of 389.29 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide is sourced from PubChem (CID 108532602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).