3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide

C22H24F3N3O3 — CID 26354431

IUPAC3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide
SMILESCOc1ccc(C[C@]2(CCC(=O)N[C@@H](c3cccnc3)C(F)(F)F)CCC(=O)N2)cc1
InChIInChI=1S/C22H24F3N3O3/c1-31-17-6-4-15(5-7-17)13-21(11-9-19(30)28-21)10-8-18(29)27-20(22(23,24)25)16-3-2-12-26-14-16/h2-7,12,14,20H,8-11,13H2,1H3,(H,27,29)(H,28,30)/t20-,21-/m0/s1
InChIKeyRXXRHSSUETZKOW-SFTDATJTSA-N
MW435.45 g/mol
LogP3.48
Rot. Bonds8

About 3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide

3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide (PubChem CID 26354431) has the molecular formula C22H24F3N3O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is 3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide.

Molecular Properties

Compound Name3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide
PubChem CID26354431
Molecular FormulaC22H24F3N3O3
Molecular Weight435.45 g/mol
Exact Mass435.18
IUPAC Name3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide
SMILESCOc1ccc(C[C@]2(CCC(=O)N[C@@H](c3cccnc3)C(F)(F)F)CCC(=O)N2)cc1
InChIInChI=1S/C22H24F3N3O3/c1-31-17-6-4-15(5-7-17)13-21(11-9-19(30)28-21)10-8-18(29)27-20(22(23,24)25)16-3-2-12-26-14-16/h2-7,12,14,20H,8-11,13H2,1H3,(H,27,29)(H,28,30)/t20-,21-/m0/s1
InChIKeyRXXRHSSUETZKOW-SFTDATJTSA-N
XLogP3.48
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 45251218
3-[(2R)-2-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(R)-phenyl(pyridin-4-yl)methyl]propanamide
CID 42406204
N-[2-(furan-2-yl)ethyl]-3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 26397502
N-(3,3-diphenylpropyl)-3-[(2R)-2-[(3-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 42424462
methyl (2S)-3-methyl-2-[3-[(2S)-2-(naphthalen-2-ylmethyl)-5-oxopyrrolidin-2-yl]propanoylamino]butanoate
CID 26281257
N-[(5-chlorothiophen-2-yl)methyl]-3-[2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]propanamide
CID 45247422
3-[(2S)-2-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 42453177
3-[(2R)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 26274935
(5S)-5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 125176594
3-[(2R)-2-[(2-fluoro-4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide
CID 42434931
3-[(2R)-2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2R)-1-pyridin-2-ylpropan-2-yl]propanamide
CID 26352796
3-[(2R)-2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]propanamide
CID 26352790

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide?
The IUPAC name of 3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide (CID 26354431) is 3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide.
What is the SMILES notation for 3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide?
The canonical SMILES for 3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide is COc1ccc(C[C@]2(CCC(=O)N[C@@H](c3cccnc3)C(F)(F)F)CCC(=O)N2)cc1.
What is the InChIKey of 3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide?
The InChIKey is RXXRHSSUETZKOW-SFTDATJTSA-N. The full InChI is InChI=1S/C22H24F3N3O3/c1-31-17-6-4-15(5-7-17)13-21(11-9-19(30)28-21)10-8-18(29)27-20(22(23,24)25)16-3-2-12-26-14-16/h2-7,12,14,20H,8-11,13H2,1H3,(H,27,29)(H,28,30)/t20-,21-/m0/s1.
What are the key properties of 3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide?
3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide has a molecular weight of 435.45 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[(4-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-[(1S)-2,2,2-trifluoro-1-pyridin-3-ylethyl]propanamide is sourced from PubChem (CID 26354431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).