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

C22H19BrN2O2 — CID 108508123

IUPACN'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)ccc1Br
InChIInChI=1S/C22H19BrN2O2/c1-15-14-18(12-13-19(15)23)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)
InChIKeyYISVUAQRZRWACP-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.60
Rot. Bonds4

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

N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide (PubChem CID 108508123) has the molecular formula C22H19BrN2O2 and a molecular weight of 423.31 g/mol. Its IUPAC name is N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide
PubChem CID108508123
Molecular FormulaC22H19BrN2O2
Molecular Weight423.31 g/mol
Exact Mass422.06
IUPAC NameN'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide
SMILESCc1cc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)ccc1Br
InChIInChI=1S/C22H19BrN2O2/c1-15-14-18(12-13-19(15)23)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)
InChIKeyYISVUAQRZRWACP-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

1-(4-bromo-3-methylphenyl)-3-(1-phenylethyl)urea
CID 47194369
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561
N-(4-bromo-3-methylphenyl)-N'-butan-2-yloxamide
CID 2926820
N'-benzhydryl-N-(2-bromo-4-methylphenyl)oxamide
CID 108508121
N-(4-bromo-3-methylphenyl)-N'-(2,6-dimethylphenyl)oxamide
CID 108532418
N'-benzhydryl-N-(4-hydroxyphenyl)oxamide
CID 108501977
N-(4-amino-3-chlorophenyl)-N'-benzhydryloxamide
CID 108507997
N-(4-bromo-3-methylphenyl)-2-phenylbutanamide
CID 2905555
1-(4-bromo-3-methylphenyl)-3-[(S)-phenyl-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 92711061
N-(4-bromo-3-methylphenyl)-2-phenylpentanamide
CID 16552824
(2R)-N-(4-bromo-3-methylphenyl)-2-phenyl-2-pyrrol-1-ylacetamide
CID 95367609
N'-benzhydryl-N-(4-sulfamoylphenyl)oxamide
CID 108507971

Frequently Asked Questions

What is the IUPAC name of N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide?
The IUPAC name of N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide (CID 108508123) is N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide.
What is the SMILES notation for N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide?
The canonical SMILES for N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide is Cc1cc(NC(=O)C(=O)NC(c2ccccc2)c2ccccc2)ccc1Br.
What is the InChIKey of N'-benzhydryl-N-(4-bromo-3-methylphenyl)oxamide?
The InChIKey is YISVUAQRZRWACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O2/c1-15-14-18(12-13-19(15)23)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-(4-bromo-3-methylphenyl)oxamide?
N'-benzhydryl-N-(4-bromo-3-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-(4-bromo-3-methylphenyl)oxamide is sourced from PubChem (CID 108508123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).