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

C17H17BrN2O3 — CID 108515633

IUPACN-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C17H17BrN2O3/c1-10-4-7-15(23-3)14(8-10)20-17(22)16(21)19-13-6-5-12(18)9-11(13)2/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyANRGXUPPRWTMOH-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.65
Rot. Bonds3

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

N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide (PubChem CID 108515633) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
PubChem CID108515633
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1ccc(Br)cc1C
InChIInChI=1S/C17H17BrN2O3/c1-10-4-7-15(23-3)14(8-10)20-17(22)16(21)19-13-6-5-12(18)9-11(13)2/h4-9H,1-3H3,(H,19,21)(H,20,22)
InChIKeyANRGXUPPRWTMOH-UHFFFAOYSA-N
XLogP3.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.65
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-amino-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 155119428
N-(4-bromo-2-methylphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 109040066
N-(4-bromo-2-methylphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532468
2-(4-bromo-2-methylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 1363313
2,4-dibromo-N-(2-methoxy-5-methylphenyl)benzamide
CID 103882118
N-(2-bromo-4-methylphenyl)-N'-(2,5-dimethoxyphenyl)oxamide
CID 108511999
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)oxamide
CID 108502691
1-(4-bromophenyl)-3-(2-methoxy-5-methylphenyl)urea
CID 17284854
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
5-bromo-2-chloro-N-(2-methoxy-5-methylphenyl)benzamide
CID 2529315
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-methoxy-5-methylphenyl)oxamide
CID 108515624
N'-(2-methoxy-5-methylphenyl)-N-(2,3,4-trifluorophenyl)oxamide
CID 108515639

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide (CID 108515633) is N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)Nc1ccc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
The InChIKey is ANRGXUPPRWTMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-10-4-7-15(23-3)14(8-10)20-17(22)16(21)19-13-6-5-12(18)9-11(13)2/h4-9H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide?
N-(4-bromo-2-methylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide has a molecular weight of 377.24 g/mol, XLogP of 3.65, 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'-(2-methoxy-5-methylphenyl)oxamide is sourced from PubChem (CID 108515633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).