N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide

C17H17BrN2O3 — CID 108531639

IUPACN'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C17H17BrN2O3/c1-11-7-8-14(13(18)9-11)20-17(22)16(21)19-10-12-5-3-4-6-15(12)23-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBJSWDIFHHPWDJX-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.02
Rot. Bonds4

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

N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide (PubChem CID 108531639) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
PubChem CID108531639
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C17H17BrN2O3/c1-11-7-8-14(13(18)9-11)20-17(22)16(21)19-10-12-5-3-4-6-15(12)23-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyBJSWDIFHHPWDJX-UHFFFAOYSA-N
XLogP3.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 7541451
N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531641
1-(2-bromo-4-methylphenyl)-3-[(2-methoxyphenoxy)methyl]urea
CID 108892354
N-(2-bromo-4-methylphenyl)-N'-(2-ethylphenyl)oxamide
CID 108530383
N'-(2,5-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108501079
N'-(2,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7541746
N'-(2-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 2223435
N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide
CID 108511999
1-(2-amino-5-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897439
3-[2-[2-(2-methoxy-5-methylanilino)-2-oxoacetyl]hydrazinyl]-N-[(2-methoxyphenyl)methyl]but-3-enamide
CID 4206125
1-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 899237
N-(2-bromo-4-methylphenyl)-2-hydroxy-3-methoxybenzamide
CID 24703596

Frequently Asked Questions

What is the IUPAC name of N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide (CID 108531639) is N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide is COc1ccccc1CNC(=O)C(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide?
The InChIKey is BJSWDIFHHPWDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11-7-8-14(13(18)9-11)20-17(22)16(21)19-10-12-5-3-4-6-15(12)23-2/h3-9H,10H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide?
N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide has a molecular weight of 377.24 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 108531639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).