N-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide

C17H23F3N2O2 — CID 129480153

IUPACN-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide
SMILESCCN(C)C(=O)CCN1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O2/c1-3-21(2)16(24)8-9-22-11-12(23)10-15(22)13-6-4-5-7-14(13)17(18,19)20/h4-7,12,15,23H,3,8-11H2,1-2H3/t12-,15+/m0/s1
InChIKeyIUHNZSNMXKEYJJ-SWLSCSKDSA-N
MW344.38 g/mol
LogP2.68
Rot. Bonds5

About N-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide

N-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide (PubChem CID 129480153) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide
PubChem CID129480153
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC NameN-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide
SMILESCCN(C)C(=O)CCN1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C17H23F3N2O2/c1-3-21(2)16(24)8-9-22-11-12(23)10-15(22)13-6-4-5-7-14(13)17(18,19)20/h4-7,12,15,23H,3,8-11H2,1-2H3/t12-,15+/m0/s1
InChIKeyIUHNZSNMXKEYJJ-SWLSCSKDSA-N
XLogP2.68
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[(2S,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-methylpropanamide
CID 129480913
2-[(2S,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetonitrile
CID 129449046
(3R,5S)-1-[2-(2-methylpyrazol-3-yl)ethyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129481918
N-ethyl-2-[(2S,4R)-4-hydroxy-2-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylacetamide
CID 129447306
(3R,5S)-1-[(1-methylpyrazol-4-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 100615756
1-[[5-(hydroxymethyl)furan-2-yl]methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 154743174
(3S,5S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129480227
2-hydroxy-1-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethanone
CID 129480068
2-hydroxy-1-[(2R,4R)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethanone
CID 129480071
1-[2-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetyl]imidazolidin-2-one
CID 129480251
(3S,5S)-1-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129449003
(3S,5R)-1-[(5-methyl-1,2-oxazol-4-yl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 129350256

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide?
The IUPAC name of N-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide (CID 129480153) is N-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide.
What is the SMILES notation for N-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide?
The canonical SMILES for N-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide is CCN(C)C(=O)CCN1C[C@@H](O)C[C@@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of N-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide?
The InChIKey is IUHNZSNMXKEYJJ-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-3-21(2)16(24)8-9-22-11-12(23)10-15(22)13-6-4-5-7-14(13)17(18,19)20/h4-7,12,15,23H,3,8-11H2,1-2H3/t12-,15+/m0/s1.
What are the key properties of N-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide?
N-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide has a molecular weight of 344.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(2R,4S)-4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 129480153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).