(2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide

C12H15F3N2O2 — CID 51943721

IUPAC(2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@H](OCC(F)(F)F)C(=O)NCCc1ccccn1
InChIInChI=1S/C12H15F3N2O2/c1-9(19-8-12(13,14)15)11(18)17-7-5-10-4-2-3-6-16-10/h2-4,6,9H,5,7-8H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyNRGYFLFBPJCBDO-VIFPVBQESA-N
MW276.26 g/mol
LogP1.71
Rot. Bonds6

About (2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide

(2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 51943721) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is (2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID51943721
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name(2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESC[C@H](OCC(F)(F)F)C(=O)NCCc1ccccn1
InChIInChI=1S/C12H15F3N2O2/c1-9(19-8-12(13,14)15)11(18)17-7-5-10-4-2-3-6-16-10/h2-4,6,9H,5,7-8H2,1H3,(H,17,18)/t9-/m0/s1
InChIKeyNRGYFLFBPJCBDO-VIFPVBQESA-N
XLogP1.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943722
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
2-(2-pyridin-2-ylethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115571278
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 51164070
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
2,2,3,3-tetrafluoro-N-(2-pyridin-2-ylethyl)propanamide
CID 103731925
ethyl 3,3-dimethyl-2-(2-pyridin-2-ylethylcarbamoyl)butanoate
CID 116537643
(2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 31528376
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of (2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 51943721) is (2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for (2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for (2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide is C[C@H](OCC(F)(F)F)C(=O)NCCc1ccccn1.
What is the InChIKey of (2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is NRGYFLFBPJCBDO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-9(19-8-12(13,14)15)11(18)17-7-5-10-4-2-3-6-16-10/h2-4,6,9H,5,7-8H2,1H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide?
(2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 276.26 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 51943721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).