2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione

C20H15F3N2O3 — CID 167217915

IUPAC2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione
SMILESO=C1CC(N2C(=O)c3ccccc3C2=O)CN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F3N2O3/c21-20(22,23)13-5-3-4-12(8-13)10-24-11-14(9-17(24)26)25-18(27)15-6-1-2-7-16(15)19(25)28/h1-8,14H,9-11H2
InChIKeyPMFWAZJANLZIRS-UHFFFAOYSA-N
MW388.35 g/mol
LogP3.10
Rot. Bonds3

About 2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione

2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione (PubChem CID 167217915) has the molecular formula C20H15F3N2O3 and a molecular weight of 388.35 g/mol. Its IUPAC name is 2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione
PubChem CID167217915
Molecular FormulaC20H15F3N2O3
Molecular Weight388.35 g/mol
Exact Mass388.10
IUPAC Name2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione
SMILESO=C1CC(N2C(=O)c3ccccc3C2=O)CN1Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F3N2O3/c21-20(22,23)13-5-3-4-12(8-13)10-24-11-14(9-17(24)26)25-18(27)15-6-1-2-7-16(15)19(25)28/h1-8,14H,9-11H2
InChIKeyPMFWAZJANLZIRS-UHFFFAOYSA-N
XLogP3.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.35
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanesulfonyl chloride
CID 168673811
2-(2-chloroethyl)-4-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 21271453
2-[cyclopropyl-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119202992
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 119410591
N-(2-iodophenyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55738631
5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-N-(2,2,2-trifluoro-1-phenylethyl)pyrrolidine-3-carboxamide
CID 60556882
N-[(4-methylphenyl)methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46489423
(3S)-6-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid
CID 94373729
N-(2-amino-2-methylpropyl)-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119627320
1-[(4-methylphenyl)methyl]-4-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pyrrolidin-2-one
CID 58348248
N-methyl-5-oxo-N-piperidin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 119442259
4-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 120655849

Frequently Asked Questions

What is the IUPAC name of 2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione (CID 167217915) is 2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione is O=C1CC(N2C(=O)c3ccccc3C2=O)CN1Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione?
The InChIKey is PMFWAZJANLZIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O3/c21-20(22,23)13-5-3-4-12(8-13)10-24-11-14(9-17(24)26)25-18(27)15-6-1-2-7-16(15)19(25)28/h1-8,14H,9-11H2.
What are the key properties of 2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione?
2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione has a molecular weight of 388.35 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 167217915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).