N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide

C12H15BrN2O3 — CID 108984242

IUPACN'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C12H15BrN2O3/c1-8-3-4-9(7-10(8)13)15-12(17)11(16)14-5-6-18-2/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWSLYUQZJSGBDDQ-UHFFFAOYSA-N
MW315.17 g/mol
LogP1.46
Rot. Bonds4

About N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide

N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide (PubChem CID 108984242) has the molecular formula C12H15BrN2O3 and a molecular weight of 315.17 g/mol. Its IUPAC name is N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide.

Molecular Properties

Compound NameN'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide
PubChem CID108984242
Molecular FormulaC12H15BrN2O3
Molecular Weight315.17 g/mol
Exact Mass314.03
IUPAC NameN'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide
SMILESCOCCNC(=O)C(=O)Nc1ccc(C)c(Br)c1
InChIInChI=1S/C12H15BrN2O3/c1-8-3-4-9(7-10(8)13)15-12(17)11(16)14-5-6-18-2/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyWSLYUQZJSGBDDQ-UHFFFAOYSA-N
XLogP1.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methylphenyl)-3-methoxypropanamide
CID 55209257
N'-(3-bromo-4-methylphenyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108985379
N-(2-amino-2-sulfanylideneethyl)-N'-(3-bromo-4-methylphenyl)oxamide
CID 63334491
N'-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108985107
N'-(3-bromo-4-methylphenyl)-N-(3-methoxypropyl)propanediamide
CID 108943352
N'-(3-bromo-4-methylphenyl)-N-(4-ethylphenyl)oxamide
CID 108986891
N'-(4-bromophenyl)-N-(3-methoxypropyl)oxamide
CID 3114000
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)urea
CID 47135210
2-amino-N-(3-bromo-4-methylphenyl)-4-methoxybutanamide
CID 63334647
1-(3-bromo-4-methylphenyl)-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108990571
N-(4-bromo-3-methylphenyl)-N'-(2-methoxyethyl)-2,2-dimethylpropanediamide
CID 108959594
N'-(3,5-dimethylphenyl)-N-(3-methoxypropyl)oxamide
CID 2273691

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide?
The IUPAC name of N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide (CID 108984242) is N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide.
What is the SMILES notation for N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide?
The canonical SMILES for N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide is COCCNC(=O)C(=O)Nc1ccc(C)c(Br)c1.
What is the InChIKey of N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide?
The InChIKey is WSLYUQZJSGBDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O3/c1-8-3-4-9(7-10(8)13)15-12(17)11(16)14-5-6-18-2/h3-4,7H,5-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide?
N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide has a molecular weight of 315.17 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromo-4-methylphenyl)-N-(2-methoxyethyl)oxamide is sourced from PubChem (CID 108984242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).