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

C14H18BrFN2O2 — CID 119443331

IUPAC2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide
SMILESCN(C(=O)COc1ccc(Br)cc1F)C1CCNCC1
InChIInChI=1S/C14H18BrFN2O2/c1-18(11-4-6-17-7-5-11)14(19)9-20-13-3-2-10(15)8-12(13)16/h2-3,8,11,17H,4-7,9H2,1H3
InChIKeyMYYAIWKZZCICFE-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.18
Rot. Bonds4

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

2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide (PubChem CID 119443331) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide
PubChem CID119443331
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide
SMILESCN(C(=O)COc1ccc(Br)cc1F)C1CCNCC1
InChIInChI=1S/C14H18BrFN2O2/c1-18(11-4-6-17-7-5-11)14(19)9-20-13-3-2-10(15)8-12(13)16/h2-3,8,11,17H,4-7,9H2,1H3
InChIKeyMYYAIWKZZCICFE-UHFFFAOYSA-N
XLogP2.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119553015
2-(4-bromo-2-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119531944
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441205
2-(4-bromo-2-fluorophenoxy)-N-piperidin-4-ylacetamide
CID 119388777
2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824020
2-(2-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119441590
2-(4-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119550503
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
2-[2-(1-aminoethyl)-4-bromophenoxy]-N-cyclopropyl-N-methylacetamide
CID 62368885
2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 112786473
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-fluorobenzoic acid
CID 113281438
2-(4-bromo-2-fluorophenoxy)-1-cyclopropylethanone
CID 63904402

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide (CID 119443331) is 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide is CN(C(=O)COc1ccc(Br)cc1F)C1CCNCC1.
What is the InChIKey of 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide?
The InChIKey is MYYAIWKZZCICFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-18(11-4-6-17-7-5-11)14(19)9-20-13-3-2-10(15)8-12(13)16/h2-3,8,11,17H,4-7,9H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide?
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide has a molecular weight of 345.21 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide is sourced from PubChem (CID 119443331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).