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

C9H9BrFNO2 — CID 135040761

IUPAC2-(2-bromo-4-fluorophenyl)-N-methoxyacetamide
SMILESCONC(=O)Cc1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO2/c1-14-12-9(13)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyKXLMCSUZQBMXCQ-UHFFFAOYSA-N
MW262.08 g/mol
LogP1.81
Rot. Bonds3

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

2-(2-bromo-4-fluorophenyl)-N-methoxyacetamide (PubChem CID 135040761) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-N-methoxyacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-N-methoxyacetamide
PubChem CID135040761
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC Name2-(2-bromo-4-fluorophenyl)-N-methoxyacetamide
SMILESCONC(=O)Cc1ccc(F)cc1Br
InChIInChI=1S/C9H9BrFNO2/c1-14-12-9(13)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyKXLMCSUZQBMXCQ-UHFFFAOYSA-N
XLogP1.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-methoxyacetamide?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-N-methoxyacetamide (CID 135040761) is 2-(2-bromo-4-fluorophenyl)-N-methoxyacetamide.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-N-methoxyacetamide?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-N-methoxyacetamide is CONC(=O)Cc1ccc(F)cc1Br.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-N-methoxyacetamide?
The InChIKey is KXLMCSUZQBMXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-14-12-9(13)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3,(H,12,13).
What are the key properties of 2-(2-bromo-4-fluorophenyl)-N-methoxyacetamide?
2-(2-bromo-4-fluorophenyl)-N-methoxyacetamide has a molecular weight of 262.08 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-N-methoxyacetamide is sourced from PubChem (CID 135040761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).