2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide

C13H16BrFN2O2 — CID 119388777

IUPAC2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide
SMILESO=C(COc1ccc(Br)cc1F)NC1CCNCC1
InChIInChI=1S/C13H16BrFN2O2/c14-9-1-2-12(11(15)7-9)19-8-13(18)17-10-3-5-16-6-4-10/h1-2,7,10,16H,3-6,8H2,(H,17,18)
InChIKeyAPOXTVMGGKHKNM-UHFFFAOYSA-N
MW331.19 g/mol
LogP1.84
Rot. Bonds4

About 2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide

2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide (PubChem CID 119388777) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide
PubChem CID119388777
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide
SMILESO=C(COc1ccc(Br)cc1F)NC1CCNCC1
InChIInChI=1S/C13H16BrFN2O2/c14-9-1-2-12(11(15)7-9)19-8-13(18)17-10-3-5-16-6-4-10/h1-2,7,10,16H,3-6,8H2,(H,17,18)
InChIKeyAPOXTVMGGKHKNM-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-(2-methylpiperidin-4-yl)acetamide
CID 120601363
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-bromo-2-fluorophenoxy)acetamide;hydrochloride
CID 119457993
2-(2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 110488066
2-[4-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]piperidin-1-yl]acetamide
CID 30776260
2-(4-bromophenoxy)-N-piperidin-4-ylacetamide
CID 119386339
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119443331
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
2-(4-bromo-2-fluorophenoxy)-N-(1-cyclopropylethyl)acetamide
CID 47113835
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553015
2-(4-bromo-2-fluorophenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119512967
2-(5-bromo-2-methoxyphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119387893
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
CID 54931519

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide (CID 119388777) is 2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide is O=C(COc1ccc(Br)cc1F)NC1CCNCC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide?
The InChIKey is APOXTVMGGKHKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c14-9-1-2-12(11(15)7-9)19-8-13(18)17-10-3-5-16-6-4-10/h1-2,7,10,16H,3-6,8H2,(H,17,18).
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide?
2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide has a molecular weight of 331.19 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide is sourced from PubChem (CID 119388777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).