2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride

C14H20Cl2F3N3O2 — CID 119847157

IUPAC2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C14H18F3N3O2.2ClH/c15-14(16,17)9-22-13-10(3-1-6-19-13)8-20-12(21)7-11-4-2-5-18-11;;/h1,3,6,11,18H,2,4-5,7-9H2,(H,20,21);2*1H
InChIKeyXFZVCZVSAAGUTG-UHFFFAOYSA-N
MW390.23 g/mol
LogP2.62
Rot. Bonds6

About 2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride

2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride (PubChem CID 119847157) has the molecular formula C14H20Cl2F3N3O2 and a molecular weight of 390.23 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
PubChem CID119847157
Molecular FormulaC14H20Cl2F3N3O2
Molecular Weight390.23 g/mol
Exact Mass389.09
IUPAC Name2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCc1cccnc1OCC(F)(F)F
InChIInChI=1S/C14H18F3N3O2.2ClH/c15-14(16,17)9-22-13-10(3-1-6-19-13)8-20-12(21)7-11-4-2-5-18-11;;/h1,3,6,11,18H,2,4-5,7-9H2,(H,20,21);2*1H
InChIKeyXFZVCZVSAAGUTG-UHFFFAOYSA-N
XLogP2.62
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
CID 119514467
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 119847102
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119892797
3-piperidin-3-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119847133
N-[2-methyl-1-[(3-methyl-2-pyridinyl)oxy]propan-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 175839939
N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119902772
N-[(2-phenylmethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119736953
N-[[2-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 61363866
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119847130
N-[(2,3-dimethoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119708902
2-amino-2-(oxan-4-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride
CID 120797967
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]urea
CID 94029250

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride?
The IUPAC name of 2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride (CID 119847157) is 2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride?
The canonical SMILES for 2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)NCc1cccnc1OCC(F)(F)F.
What is the InChIKey of 2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride?
The InChIKey is XFZVCZVSAAGUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2.2ClH/c15-14(16,17)9-22-13-10(3-1-6-19-13)8-20-12(21)7-11-4-2-5-18-11;;/h1,3,6,11,18H,2,4-5,7-9H2,(H,20,21);2*1H.
What are the key properties of 2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride?
2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride has a molecular weight of 390.23 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]acetamide;dihydrochloride is sourced from PubChem (CID 119847157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).