2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

C14H19Cl2FN2O2 — CID 119441205

IUPAC2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)COc1ccc(F)cc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C14H18ClFN2O2.ClH/c1-18(11-4-6-17-7-5-11)14(19)9-20-13-3-2-10(16)8-12(13)15;/h2-3,8,11,17H,4-7,9H2,1H3;1H
InChIKeyFRVFGUXPVZAKKK-UHFFFAOYSA-N
MW337.22 g/mol
LogP2.49
Rot. Bonds4

About 2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride

2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (PubChem CID 119441205) has the molecular formula C14H19Cl2FN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
PubChem CID119441205
Molecular FormulaC14H19Cl2FN2O2
Molecular Weight337.22 g/mol
Exact Mass336.08
IUPAC Name2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
SMILESCN(C(=O)COc1ccc(F)cc1Cl)C1CCNCC1.Cl
InChIInChI=1S/C14H18ClFN2O2.ClH/c1-18(11-4-6-17-7-5-11)14(19)9-20-13-3-2-10(16)8-12(13)15;/h2-3,8,11,17H,4-7,9H2,1H3;1H
InChIKeyFRVFGUXPVZAKKK-UHFFFAOYSA-N
XLogP2.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 124613703
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
2-(2-chloro-4-fluorophenoxy)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 17438542
2-(4-bromo-2-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119443331
3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442168
2-(2-ethylphenoxy)-N-methyl-N-piperidin-4-ylacetamide
CID 119441590
2-(2,4-difluorophenoxy)-N-piperidin-4-yl-N-propylacetamide;hydrochloride
CID 119824020
2-(2-chloro-4-fluorophenoxy)-N-methoxy-N-methylacetamide
CID 60652409
2-(2-bromo-4-fluorophenoxy)-N-cyclohexyl-N-methylacetamide
CID 112786473
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-fluorobenzoic acid
CID 113281438
2-(2,4-dichlorophenoxy)-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
CID 110830692

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride (CID 119441205) is 2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is CN(C(=O)COc1ccc(F)cc1Cl)C1CCNCC1.Cl.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
The InChIKey is FRVFGUXPVZAKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2.ClH/c1-18(11-4-6-17-7-5-11)14(19)9-20-13-3-2-10(16)8-12(13)15;/h2-3,8,11,17H,4-7,9H2,1H3;1H.
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride?
2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride has a molecular weight of 337.22 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 119441205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).