2-(2-bromo-5-fluorophenoxy)acetamide

C8H7BrFNO2 — CID 81494596

IUPAC2-(2-bromo-5-fluorophenoxy)acetamide
SMILESNC(=O)COc1cc(F)ccc1Br
InChIInChI=1S/C8H7BrFNO2/c9-6-2-1-5(10)3-7(6)13-4-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKeyCKDJBMJGBRRVEF-UHFFFAOYSA-N
MW248.05 g/mol
LogP1.45
Rot. Bonds3

About 2-(2-bromo-5-fluorophenoxy)acetamide

2-(2-bromo-5-fluorophenoxy)acetamide (PubChem CID 81494596) has the molecular formula C8H7BrFNO2 and a molecular weight of 248.05 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenoxy)acetamide.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenoxy)acetamide
PubChem CID81494596
Molecular FormulaC8H7BrFNO2
Molecular Weight248.05 g/mol
Exact Mass246.96
IUPAC Name2-(2-bromo-5-fluorophenoxy)acetamide
SMILESNC(=O)COc1cc(F)ccc1Br
InChIInChI=1S/C8H7BrFNO2/c9-6-2-1-5(10)3-7(6)13-4-8(11)12/h1-3H,4H2,(H2,11,12)
InChIKeyCKDJBMJGBRRVEF-UHFFFAOYSA-N
XLogP1.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.05
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1-aminoethyl)-5-fluorophenoxy]acetamide
CID 63066360
2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone
CID 113267861
2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide
CID 81495219
2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]acetamide
CID 8807860
2-(2-bromo-5-fluorophenoxy)-N-(2-chlorophenyl)acetamide
CID 81496110
2-[2-[(2-bromo-5-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460810
6-(2-bromo-5-fluorophenoxy)hexan-1-ol
CID 103867953
3-(2-bromo-5-fluorophenoxy)-2,2-dimethylpropanal
CID 165409834
2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide
CID 103866111
2-(2-bromo-5-fluorophenoxy)-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
CID 172906952
methyl 2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]propanoate
CID 60637998
tert-butyl 3-(2-bromo-5-fluorophenoxy)propanoate
CID 116659251

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenoxy)acetamide?
The IUPAC name of 2-(2-bromo-5-fluorophenoxy)acetamide (CID 81494596) is 2-(2-bromo-5-fluorophenoxy)acetamide.
What is the SMILES notation for 2-(2-bromo-5-fluorophenoxy)acetamide?
The canonical SMILES for 2-(2-bromo-5-fluorophenoxy)acetamide is NC(=O)COc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-bromo-5-fluorophenoxy)acetamide?
The InChIKey is CKDJBMJGBRRVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrFNO2/c9-6-2-1-5(10)3-7(6)13-4-8(11)12/h1-3H,4H2,(H2,11,12).
What are the key properties of 2-(2-bromo-5-fluorophenoxy)acetamide?
2-(2-bromo-5-fluorophenoxy)acetamide has a molecular weight of 248.05 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenoxy)acetamide is sourced from PubChem (CID 81494596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).