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

C16H15BrN2O3 — CID 108502691

IUPACN'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H15BrN2O3/c1-10-9-11(17)3-8-14(10)19-16(21)15(20)18-12-4-6-13(22-2)7-5-12/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyCNCCLEQBHQZBHD-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.34
Rot. Bonds3

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

N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide (PubChem CID 108502691) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide
PubChem CID108502691
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC NameN'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C16H15BrN2O3/c1-10-9-11(17)3-8-14(10)19-16(21)15(20)18-12-4-6-13(22-2)7-5-12/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyCNCCLEQBHQZBHD-UHFFFAOYSA-N
XLogP3.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide
CID 108955636
methyl 4-[[2-(4-bromo-2-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108528189
N'-(4-bromo-2-methylphenyl)-N-(4-bromo-3-methylphenyl)oxamide
CID 108532618
1-(5-bromo-2-methylphenyl)-3-(4-methoxyphenyl)urea
CID 43806631
N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 108515633
N'-(3-acetamidophenyl)-N-(4-bromo-2-methylphenyl)oxamide
CID 108526648
N-(4-bromo-2-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532468
N-(4-bromophenyl)-2-(4-methoxy-2-methylanilino)acetamide
CID 62871519
methyl N-[4-(4-bromo-2-methylanilino)phenyl]carbamate
CID 112989101
N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)oxamide
CID 44995875
N'-[(Z)-[4-[2-(4-bromo-2-methylanilino)-2-oxoethoxy]-3-ethoxyphenyl]methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 126161848
N-(4-bromo-2-methylphenyl)-N'-(2-bromophenyl)oxamide
CID 108531900

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide?
The IUPAC name of N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide (CID 108502691) is N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide?
The canonical SMILES for N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide?
The InChIKey is CNCCLEQBHQZBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c1-10-9-11(17)3-8-14(10)19-16(21)15(20)18-12-4-6-13(22-2)7-5-12/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide?
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide has a molecular weight of 363.21 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 108502691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).