2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide

C11H13BrN2O3 — CID 7949226

IUPAC2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)COc1ccc(C)cc1Br
InChIInChI=1S/C11H13BrN2O3/c1-7-3-4-9(8(12)5-7)17-6-10(15)14-11(16)13-2/h3-5H,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyNAJRURJATSPDKP-UHFFFAOYSA-N
MW301.14 g/mol
LogP1.59
Rot. Bonds3

About 2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide

2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide (PubChem CID 7949226) has the molecular formula C11H13BrN2O3 and a molecular weight of 301.14 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
PubChem CID7949226
Molecular FormulaC11H13BrN2O3
Molecular Weight301.14 g/mol
Exact Mass300.01
IUPAC Name2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)COc1ccc(C)cc1Br
InChIInChI=1S/C11H13BrN2O3/c1-7-3-4-9(8(12)5-7)17-6-10(15)14-11(16)13-2/h3-5H,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyNAJRURJATSPDKP-UHFFFAOYSA-N
XLogP1.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N'-[2-(2-bromo-4-methylphenoxy)acetyl]acetohydrazide
CID 5089524
N'-[2-(2-bromo-4-methylphenoxy)acetyl]-2-(4-methoxyphenoxy)acetohydrazide
CID 4634264
2-(2,4-dibromophenoxy)-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 2632532
2-(2-bromo-4-methylphenoxy)-N-(3,5-dichlorophenyl)acetamide
CID 1369656
N-[(4-acetamidophenyl)carbamothioyl]-2-(2-bromo-4-methylphenoxy)acetamide
CID 3288534
2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]ethyl-dimethylazanium
CID 2184742
2-(2-bromo-4-methylphenoxy)-N-(2-chloroprop-2-enyl)acetamide
CID 115636543
2-(2-bromo-4-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9370222
2-(2-bromo-4-methylphenoxy)-N-[(4-hydroxyphenyl)carbamothioyl]acetamide
CID 3288695
2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)acetamide
CID 4805018
1-(2-bromo-4-methylphenoxy)butan-2-one
CID 62040640
2-(2-bromo-4-methylphenoxy)-N-[(1S,2S)-2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 1012712

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide (CID 7949226) is 2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)COc1ccc(C)cc1Br.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide?
The InChIKey is NAJRURJATSPDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2O3/c1-7-3-4-9(8(12)5-7)17-6-10(15)14-11(16)13-2/h3-5H,6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide?
2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide has a molecular weight of 301.14 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 7949226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).