N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide

C17H17BrN2O4 — CID 108511999

IUPACN-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C17H17BrN2O4/c1-10-4-6-13(12(18)8-10)19-16(21)17(22)20-14-9-11(23-2)5-7-15(14)24-3/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyGUVGJMAKPIBZQK-UHFFFAOYSA-N
MW393.24 g/mol
LogP3.35
Rot. Bonds4

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

N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide (PubChem CID 108511999) has the molecular formula C17H17BrN2O4 and a molecular weight of 393.24 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide
PubChem CID108511999
Molecular FormulaC17H17BrN2O4
Molecular Weight393.24 g/mol
Exact Mass392.04
IUPAC NameN-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide
SMILESCOc1ccc(OC)c(NC(=O)C(=O)Nc2ccc(C)cc2Br)c1
InChIInChI=1S/C17H17BrN2O4/c1-10-4-6-13(12(18)8-10)19-16(21)17(22)20-14-9-11(23-2)5-7-15(14)24-3/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyGUVGJMAKPIBZQK-UHFFFAOYSA-N
XLogP3.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515633
N'-(2,5-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2272409
N-(2-bromo-4-methylphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109040499
N-(2-bromo-5-methoxyphenyl)-2-methoxy-5-methylbenzamide
CID 62415657
N-(2-bromo-4-methylphenyl)-2-hydroxy-5-methoxybenzamide
CID 60715660
N-(2,4-difluorophenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44998456
N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531639
ethyl 2-(2,5-dimethoxyanilino)-2-oxoacetate
CID 3494164
N'-(2-chloro-4,6-dimethylphenyl)-N-(2,5-dimethoxyphenyl)oxamide
CID 108511990
(Z)-2-cyano-3-(2,5-dimethoxyanilino)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 108858177
N-(2-bromo-4-methylphenyl)-2-(4-methoxyanilino)acetamide
CID 109009113

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide (CID 108511999) is N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide is COc1ccc(OC)c(NC(=O)C(=O)Nc2ccc(C)cc2Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide?
The InChIKey is GUVGJMAKPIBZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O4/c1-10-4-6-13(12(18)8-10)19-16(21)17(22)20-14-9-11(23-2)5-7-15(14)24-3/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide?
N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide has a molecular weight of 393.24 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide is sourced from PubChem (CID 108511999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).