2-(2,4-dibromophenoxy)-N-methoxyacetamide

C9H9Br2NO3 — CID 33099382

IUPAC2-(2,4-dibromophenoxy)-N-methoxyacetamide
SMILESCONC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C9H9Br2NO3/c1-14-12-9(13)5-15-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyJOBQECQRCKLBQN-UHFFFAOYSA-N
MW338.98 g/mol
LogP2.27
Rot. Bonds4

About 2-(2,4-dibromophenoxy)-N-methoxyacetamide

2-(2,4-dibromophenoxy)-N-methoxyacetamide (PubChem CID 33099382) has the molecular formula C9H9Br2NO3 and a molecular weight of 338.98 g/mol. Its IUPAC name is 2-(2,4-dibromophenoxy)-N-methoxyacetamide.

Molecular Properties

Compound Name2-(2,4-dibromophenoxy)-N-methoxyacetamide
PubChem CID33099382
Molecular FormulaC9H9Br2NO3
Molecular Weight338.98 g/mol
Exact Mass336.89
IUPAC Name2-(2,4-dibromophenoxy)-N-methoxyacetamide
SMILESCONC(=O)COc1ccc(Br)cc1Br
InChIInChI=1S/C9H9Br2NO3/c1-14-12-9(13)5-15-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyJOBQECQRCKLBQN-UHFFFAOYSA-N
XLogP2.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.98
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
CID 51279328
2-[[2-(2,4-dibromophenoxy)acetyl]amino]oxyacetic acid
CID 60668042
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
(2R)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]propanoic acid
CID 54991092
1-(2,4-dibromophenoxy)butan-2-one
CID 62038524
2-(2,4-dibromophenoxy)-N-(2,5-dimethoxyphenyl)acetamide
CID 1181190
2-(3-bromophenoxy)-N-methoxyacetamide
CID 60700558
(2S)-2-[[2-(2,4-dibromophenoxy)acetyl]amino]butanedioic acid
CID 112732923
N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408
2-(2,4-dibromophenoxy)-N-[(3,5-dimethylphenyl)carbamothioyl]acetamide
CID 3313169
2-(2-bromo-4-methoxyphenoxy)acetohydrazide
CID 3936634
2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2788023

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dibromophenoxy)-N-methoxyacetamide?
The IUPAC name of 2-(2,4-dibromophenoxy)-N-methoxyacetamide (CID 33099382) is 2-(2,4-dibromophenoxy)-N-methoxyacetamide.
What is the SMILES notation for 2-(2,4-dibromophenoxy)-N-methoxyacetamide?
The canonical SMILES for 2-(2,4-dibromophenoxy)-N-methoxyacetamide is CONC(=O)COc1ccc(Br)cc1Br.
What is the InChIKey of 2-(2,4-dibromophenoxy)-N-methoxyacetamide?
The InChIKey is JOBQECQRCKLBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Br2NO3/c1-14-12-9(13)5-15-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-(2,4-dibromophenoxy)-N-methoxyacetamide?
2-(2,4-dibromophenoxy)-N-methoxyacetamide has a molecular weight of 338.98 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dibromophenoxy)-N-methoxyacetamide is sourced from PubChem (CID 33099382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).