2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide

C9H9BrFNO3 — CID 51279328

IUPAC2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
SMILESCONC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO3/c1-14-12-9(13)5-15-8-3-2-6(11)4-7(8)10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyFVYAJIXPMWLKTN-UHFFFAOYSA-N
MW278.08 g/mol
LogP1.64
Rot. Bonds4

About 2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide

2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide (PubChem CID 51279328) has the molecular formula C9H9BrFNO3 and a molecular weight of 278.08 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
PubChem CID51279328
Molecular FormulaC9H9BrFNO3
Molecular Weight278.08 g/mol
Exact Mass276.97
IUPAC Name2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide
SMILESCONC(=O)COc1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO3/c1-14-12-9(13)5-15-8-3-2-6(11)4-7(8)10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyFVYAJIXPMWLKTN-UHFFFAOYSA-N
XLogP1.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.08
LogP ≤ 51.64
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-(2,4-dibromophenoxy)-N-methoxyacetamide
CID 33099382
methyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 60637998
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860
2-(2-bromo-4-fluorophenoxy)-N-prop-2-ynylacetamide
CID 18109952
2-(2-bromo-4-fluorophenoxy)-N-cyanoacetamide
CID 79194674
dimethyl 5-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2627534
ethyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 61344943
2-(2-bromo-4-fluorophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acetamide
CID 107845477
(2S,3R)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-3-hydroxybutanoic acid
CID 104964738
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807867
2-(2-bromo-4-fluorophenoxy)-N-(3-hydroxy-4-methoxyphenyl)acetamide
CID 7478739
2-(2-bromo-4-fluorophenoxy)-N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 16602981

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide (CID 51279328) is 2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide is CONC(=O)COc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide?
The InChIKey is FVYAJIXPMWLKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO3/c1-14-12-9(13)5-15-8-3-2-6(11)4-7(8)10/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide?
2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide has a molecular weight of 278.08 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenoxy)-N-methoxyacetamide is sourced from PubChem (CID 51279328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).