N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide

C16H14BrClN2O2 — CID 108511860

IUPACN-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cc(Cl)ccc2C)c(Br)c1
InChIInChI=1S/C16H14BrClN2O2/c1-9-3-6-13(12(17)7-9)19-15(21)16(22)20-14-8-11(18)5-4-10(14)2/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyFSPMTWYIWMSXAK-UHFFFAOYSA-N
MW381.66 g/mol
LogP4.30
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide

N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide (PubChem CID 108511860) has the molecular formula C16H14BrClN2O2 and a molecular weight of 381.66 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
PubChem CID108511860
Molecular FormulaC16H14BrClN2O2
Molecular Weight381.66 g/mol
Exact Mass379.99
IUPAC NameN-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)Nc2cc(Cl)ccc2C)c(Br)c1
InChIInChI=1S/C16H14BrClN2O2/c1-9-3-6-13(12(17)7-9)19-15(21)16(22)20-14-8-11(18)5-4-10(14)2/h3-8H,1-2H3,(H,19,21)(H,20,22)
InChIKeyFSPMTWYIWMSXAK-UHFFFAOYSA-N
XLogP4.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 54.30
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'-(5-chloro-2-methylphenyl)propanediamide
CID 108955160
N-(2-bromo-4-chlorophenyl)-2,4-dimethylbenzamide
CID 81028266
N'-(2-bromo-4-methylphenyl)-N-(4-chloro-2-methylphenyl)propanediamide
CID 108955213
N-(2-bromo-4-methylphenyl)-N'-tert-butyloxamide
CID 108506932
N'-(2,5-dichlorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 108500949
N'-(2-bromo-4-methylphenyl)-N-(2,3-dichlorophenyl)oxamide
CID 108500869
2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 131001051
2-amino-N-(2-bromo-4-chlorophenyl)-5-methylbenzamide
CID 81262086
N'-(5-chloro-2-methylphenyl)-N-(2,5-difluorophenyl)oxamide
CID 108511873
N-(2-bromo-4-methylphenyl)-3,5-dichlorobenzamide
CID 4271620
N-(2-bromo-4-methylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121268
N-(4-bromo-3-methylphenyl)-N'-(2,5-dimethylphenyl)oxamide
CID 108531024

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide (CID 108511860) is N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)Nc2cc(Cl)ccc2C)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide?
The InChIKey is FSPMTWYIWMSXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O2/c1-9-3-6-13(12(17)7-9)19-15(21)16(22)20-14-8-11(18)5-4-10(14)2/h3-8H,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide?
N-(2-bromo-4-methylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide has a molecular weight of 381.66 g/mol, XLogP of 4.30, 2 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'-(5-chloro-2-methylphenyl)oxamide is sourced from PubChem (CID 108511860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).