N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide

C22H19BrN2O2 — CID 108508121

IUPACN'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)c(Br)c1
InChIInChI=1S/C22H19BrN2O2/c1-15-12-13-19(18(23)14-15)24-21(26)22(27)25-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,1H3,(H,24,26)(H,25,27)
InChIKeyUOFMUWUBMQQLEY-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.60
Rot. Bonds4

About N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide

N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide (PubChem CID 108508121) has the molecular formula C22H19BrN2O2 and a molecular weight of 423.31 g/mol. Its IUPAC name is N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide
PubChem CID108508121
Molecular FormulaC22H19BrN2O2
Molecular Weight423.31 g/mol
Exact Mass422.06
IUPAC NameN'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)c(Br)c1
InChIInChI=1S/C22H19BrN2O2/c1-15-12-13-19(18(23)14-15)24-21(26)22(27)25-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,1H3,(H,24,26)(H,25,27)
InChIKeyUOFMUWUBMQQLEY-UHFFFAOYSA-N
XLogP4.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 54.60
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)-2,2-diphenylacetamide
CID 1001609
N-(2-bromo-4-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228982
N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide
CID 108508123
N-(2-bromo-4-methylphenyl)-2-(dimethylamino)-2-phenylacetamide
CID 110426047
N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
CID 108530383
N-(2-bromo-4-methylphenyl)-3-phenylbutanamide
CID 47096965
N-(2-bromo-4-methylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521021
N'-(2-bromo-4-methylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500869
2-(2-bromo-4-methylanilino)-2-phenylacetic acid
CID 103231663
N-(2,3-difluorophenyl)-N'-[(4-methylphenyl)-phenylmethyl]oxamide
CID 86856671
N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide
CID 108532602
3-amino-N-(2-bromo-4-methylphenyl)-2-phenyl-3-sulfanylidenepropanamide
CID 62877034

Frequently Asked Questions

What is the IUPAC name of N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide?
The IUPAC name of N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide (CID 108508121) is N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide.
What is the SMILES notation for N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide?
The canonical SMILES for N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)c(Br)c1.
What is the InChIKey of N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide?
The InChIKey is UOFMUWUBMQQLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O2/c1-15-12-13-19(18(23)14-15)24-21(26)22(27)25-20(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,20H,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide?
N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide has a molecular weight of 423.31 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide is sourced from PubChem (CID 108508121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).