N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide

C17H17BrN2O3 — CID 108531641

IUPACN'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C17H17BrN2O3/c1-11-9-13(7-8-14(11)18)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)
InChIKeyPABDGNFDAMZVJN-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.02
Rot. Bonds4

About N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide

N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide (PubChem CID 108531641) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
PubChem CID108531641
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C17H17BrN2O3/c1-11-9-13(7-8-14(11)18)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)
InChIKeyPABDGNFDAMZVJN-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'}

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897435
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]thiourea
CID 100591089
N'-(3,5-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 7541451
N'-(3-bromo-4-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108985379
N'-(3,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 7585276
N'-(2-bromo-4-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 108531639
N-[(2-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 2175728
N'-(3-chloro-4-methoxyphenyl)-N-[(2-methylphenyl)methyl]oxamide
CID 108984615
N-[(2-methoxyphenyl)methyl]-N'-(4-propoxyphenyl)oxamide
CID 125145113
N-(3-bromo-4-methylphenyl)-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998363
N'-(4-bromo-3-methylphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2985453
N'-(4-bromo-3-methylphenyl)-N-(thiophen-2-ylmethyl)oxamide
CID 47148033

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide?
The IUPAC name of N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide (CID 108531641) is N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide is COc1ccccc1CNC(=O)C(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of N'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide?
The InChIKey is PABDGNFDAMZVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-11-9-13(7-8-14(11)18)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'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide?
N'-(4-bromo-3-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'-(4-bromo-3-methylphenyl)-N-[(2-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 108531641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).