2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide

C13H15BrFNO2 — CID 81495219

IUPAC2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide
SMILESO=C(COc1cc(F)ccc1Br)NC1CCCC1
InChIInChI=1S/C13H15BrFNO2/c14-11-6-5-9(15)7-12(11)18-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17)
InChIKeyMDKLJIJTUAGBOO-UHFFFAOYSA-N
MW316.17 g/mol
LogP3.03
Rot. Bonds4

About 2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide

2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide (PubChem CID 81495219) has the molecular formula C13H15BrFNO2 and a molecular weight of 316.17 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide
PubChem CID81495219
Molecular FormulaC13H15BrFNO2
Molecular Weight316.17 g/mol
Exact Mass315.03
IUPAC Name2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide
SMILESO=C(COc1cc(F)ccc1Br)NC1CCCC1
InChIInChI=1S/C13H15BrFNO2/c14-11-6-5-9(15)7-12(11)18-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17)
InChIKeyMDKLJIJTUAGBOO-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.17
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-bromo-5-(trifluoromethyl)phenoxy]-N-cyclohexylacetamide
CID 172906922
2-(2-amino-4-fluorophenoxy)-N-cyclohexylacetamide
CID 55068862
N-cyclopentyl-2-[5-fluoro-2-(1-hydroxyethyl)phenoxy]acetamide
CID 63067515
N-cyclopentyl-2-(4-fluoro-2-sulfamoylphenoxy)acetamide
CID 82916135
2-(2-bromo-5-fluorophenoxy)-1-cyclohexylethanone
CID 113267861
N-cyclohexyl-2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]acetamide
CID 78934122
2-[2-[(1S)-1-aminoethyl]-5-fluorophenoxy]-N-cyclopentylacetamide
CID 78935687
3-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030131
2-[(2-bromo-3-fluoro-4-pyridinyl)oxy]-N-cyclopentylacetamide
CID 127267066
2-(2-bromo-4-methoxyphenoxy)-N-cycloheptylacetamide
CID 104704670
N-cyclopropyl-2-[5-fluoro-2-[1-(methylamino)ethyl]phenoxy]acetamide
CID 63066020
2-(2-bromo-5-fluorophenoxy)acetamide
CID 81494596

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide?
The IUPAC name of 2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide (CID 81495219) is 2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide?
The canonical SMILES for 2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide is O=C(COc1cc(F)ccc1Br)NC1CCCC1.
What is the InChIKey of 2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide?
The InChIKey is MDKLJIJTUAGBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFNO2/c14-11-6-5-9(15)7-12(11)18-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17).
What are the key properties of 2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide?
2-(2-bromo-5-fluorophenoxy)-N-cyclopentylacetamide has a molecular weight of 316.17 g/mol, XLogP of 3.03, 4 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)-N-cyclopentylacetamide is sourced from PubChem (CID 81495219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).