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

C9H9BrFNO2 — CID 885770

IUPACN-(4-bromo-2-fluorophenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFNO2/c1-14-5-9(13)12-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyJSBYRXZJFNPBLP-UHFFFAOYSA-N
MW262.08 g/mol
LogP2.17
Rot. Bonds3

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

N-(4-bromo-2-fluorophenyl)-2-methoxyacetamide (PubChem CID 885770) has the molecular formula C9H9BrFNO2 and a molecular weight of 262.08 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-methoxyacetamide
PubChem CID885770
Molecular FormulaC9H9BrFNO2
Molecular Weight262.08 g/mol
Exact Mass260.98
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-methoxyacetamide
SMILESCOCC(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C9H9BrFNO2/c1-14-5-9(13)12-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyJSBYRXZJFNPBLP-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methoxyacetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-methoxyacetamide (CID 885770) is N-(4-bromo-2-fluorophenyl)-2-methoxyacetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-methoxyacetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-methoxyacetamide is COCC(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-methoxyacetamide?
The InChIKey is JSBYRXZJFNPBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO2/c1-14-5-9(13)12-8-3-2-6(10)4-7(8)11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-methoxyacetamide?
N-(4-bromo-2-fluorophenyl)-2-methoxyacetamide has a molecular weight of 262.08 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-methoxyacetamide is sourced from PubChem (CID 885770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).