2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide

C15H20ClFN2O2 — CID 142458000

IUPAC2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1F)C(=O)NC1CCNCC1
InChIInChI=1S/C15H20ClFN2O2/c1-15(2,14(20)19-11-5-7-18-8-6-11)21-13-4-3-10(16)9-12(13)17/h3-4,9,11,18H,5-8H2,1-2H3,(H,19,20)
InChIKeyFNZKOMUVQBAQIH-UHFFFAOYSA-N
MW314.79 g/mol
LogP2.50
Rot. Bonds4

About 2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide

2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide (PubChem CID 142458000) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide
PubChem CID142458000
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC Name2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1F)C(=O)NC1CCNCC1
InChIInChI=1S/C15H20ClFN2O2/c1-15(2,14(20)19-11-5-7-18-8-6-11)21-13-4-3-10(16)9-12(13)17/h3-4,9,11,18H,5-8H2,1-2H3,(H,19,20)
InChIKeyFNZKOMUVQBAQIH-UHFFFAOYSA-N
XLogP2.50
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236365
3-(4-chloro-2-fluorophenoxy)-3-methylbutan-2-one
CID 142457879
2-(3-chlorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 110464819
4-(4-chlorophenoxy)-3-fluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119389286
2-(4-fluorophenyl)-2-methyl-N-piperidin-4-ylpropanamide
CID 119387447
2-(2,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119385688
5-chloro-2-(difluoromethoxy)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119386862
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 25236105
2-(4-chloro-2-methylphenoxy)-N-cyclohexyl-2,2-difluoroacetamide
CID 1486250
4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
2-(4-chloro-2-fluorophenoxy)-1-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 155332826

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide?
The IUPAC name of 2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide (CID 142458000) is 2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide.
What is the SMILES notation for 2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide?
The canonical SMILES for 2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide is CC(C)(Oc1ccc(Cl)cc1F)C(=O)NC1CCNCC1.
What is the InChIKey of 2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide?
The InChIKey is FNZKOMUVQBAQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2/c1-15(2,14(20)19-11-5-7-18-8-6-11)21-13-4-3-10(16)9-12(13)17/h3-4,9,11,18H,5-8H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide?
2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide has a molecular weight of 314.79 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenoxy)-2-methyl-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 142458000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).