(2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide

C17H17F3N2O2 — CID 40636207

IUPAC(2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C)c1ccncc1
InChIInChI=1S/C17H17F3N2O2/c1-11(13-6-8-21-9-7-13)22-16(23)12(2)24-15-5-3-4-14(10-15)17(18,19)20/h3-12H,1-2H3,(H,22,23)/t11-,12+/m1/s1
InChIKeyGVIPDMMWUDCGLF-NEPJUHHUSA-N
MW338.33 g/mol
LogP3.75
Rot. Bonds5

About (2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide

(2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide (PubChem CID 40636207) has the molecular formula C17H17F3N2O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
PubChem CID40636207
Molecular FormulaC17H17F3N2O2
Molecular Weight338.33 g/mol
Exact Mass338.12
IUPAC Name(2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C)c1ccncc1
InChIInChI=1S/C17H17F3N2O2/c1-11(13-6-8-21-9-7-13)22-16(23)12(2)24-15-5-3-4-14(10-15)17(18,19)20/h3-12H,1-2H3,(H,22,23)/t11-,12+/m1/s1
InChIKeyGVIPDMMWUDCGLF-NEPJUHHUSA-N
XLogP3.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(1-phenylethyl)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 158170724
(2R)-2-phenoxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 879678
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
CID 6934258
(2S)-2-(2-fluorophenoxy)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 31885014
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 93486457
N-[1-(4-tert-butylphenyl)ethyl]-2-phenoxypropanamide
CID 132651097
2-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133144163
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237
(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 890062

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
The IUPAC name of (2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide (CID 40636207) is (2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide is C[C@H](Oc1cccc(C(F)(F)F)c1)C(=O)N[C@H](C)c1ccncc1.
What is the InChIKey of (2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
The InChIKey is GVIPDMMWUDCGLF-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H17F3N2O2/c1-11(13-6-8-21-9-7-13)22-16(23)12(2)24-15-5-3-4-14(10-15)17(18,19)20/h3-12H,1-2H3,(H,22,23)/t11-,12+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide?
(2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide has a molecular weight of 338.33 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-pyridin-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]propanamide is sourced from PubChem (CID 40636207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).