1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione

C21H16F4N2O2 — CID 156772233

IUPAC1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione
SMILESO=C1C=CCC2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1CC(F)(F)F
InChIInChI=1S/C21H16F4N2O2/c22-15-9-7-14(8-10-15)12-26-17-5-2-1-4-16(17)20(19(26)29)11-3-6-18(28)27(20)13-21(23,24)25/h1-10H,11-13H2
InChIKeyUOLKLPJEAIXHEJ-UHFFFAOYSA-N
MW404.36 g/mol
LogP3.92
Rot. Bonds3

About 1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione

1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione (PubChem CID 156772233) has the molecular formula C21H16F4N2O2 and a molecular weight of 404.36 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione.

Molecular Properties

Compound Name1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione
PubChem CID156772233
Molecular FormulaC21H16F4N2O2
Molecular Weight404.36 g/mol
Exact Mass404.11
IUPAC Name1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione
SMILESO=C1C=CCC2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1CC(F)(F)F
InChIInChI=1S/C21H16F4N2O2/c22-15-9-7-14(8-10-15)12-26-17-5-2-1-4-16(17)20(19(26)29)11-3-6-18(28)27(20)13-21(23,24)25/h1-10H,11-13H2
InChIKeyUOLKLPJEAIXHEJ-UHFFFAOYSA-N
XLogP3.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione with MolForge

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Related Compounds

3-(4-fluorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927156
4-[[2-(4-fluorophenyl)-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl]methyl]benzoic acid
CID 67234010
(3R)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-[(2R)-1-oxo-3,4-dihydro-2H-naphthalen-2-yl]indol-2-one
CID 26413998
(3S)-1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(pyridin-4-ylmethyl)indol-2-one
CID 7328364
1-[(4-fluorophenyl)methyl]-3-hydroxy-3-(3-methylbut-2-enyl)indol-2-one
CID 132512055
(3S)-3'-[(4-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 51468020
3-(5-tert-butyl-2-oxocyclohexyl)-1-[(4-fluorophenyl)methyl]-3-hydroxyindol-2-one
CID 17138860
1-benzyl-3-(4-fluoroanilino)-3-(2-oxocyclohexyl)indol-2-one
CID 102334281
4-[[(3S)-1-[(4-fluorophenyl)methyl]-2-oxo-3-[(1S)-3-oxocyclopentyl]indol-3-yl]methyl]benzonitrile
CID 139259113
(2R)-3-(2-fluorobenzoyl)-1'-[(4-fluorophenyl)methyl]-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180917
3-(3-chlorophenyl)-1'-[(4-fluorophenyl)methyl]-1,1-dioxospiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 20927161
3,3-dimethyl-1-(2,2,2-trifluoroethyl)indol-2-one;ethane
CID 157034638

Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione?
The IUPAC name of 1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione (CID 156772233) is 1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione.
What is the SMILES notation for 1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione?
The canonical SMILES for 1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione is O=C1C=CCC2(C(=O)N(Cc3ccc(F)cc3)c3ccccc32)N1CC(F)(F)F.
What is the InChIKey of 1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione?
The InChIKey is UOLKLPJEAIXHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4N2O2/c22-15-9-7-14(8-10-15)12-26-17-5-2-1-4-16(17)20(19(26)29)11-3-6-18(28)27(20)13-21(23,24)25/h1-10H,11-13H2.
What are the key properties of 1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione?
1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione has a molecular weight of 404.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)spiro[3H-pyridine-2,3'-indole]-2',6-dione is sourced from PubChem (CID 156772233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).