1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one

C25H21F3N2O — CID 134789133

IUPAC1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2C12CCN(Cc1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C25H21F3N2O/c26-25(27,28)19-12-10-18(11-13-19)16-29-15-14-24(17-29)21-8-4-5-9-22(21)30(23(24)31)20-6-2-1-3-7-20/h1-13H,14-17H2
InChIKeyCNXZYOPQAZISFM-UHFFFAOYSA-N
MW422.45 g/mol
LogP5.53
Rot. Bonds3

About 1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one

1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 134789133) has the molecular formula C25H21F3N2O and a molecular weight of 422.45 g/mol. Its IUPAC name is 1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID134789133
Molecular FormulaC25H21F3N2O
Molecular Weight422.45 g/mol
Exact Mass422.16
IUPAC Name1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C1N(c2ccccc2)c2ccccc2C12CCN(Cc1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C25H21F3N2O/c26-25(27,28)19-12-10-18(11-13-19)16-29-15-14-24(17-29)21-8-4-5-9-22(21)30(23(24)31)20-6-2-1-3-7-20/h1-13H,14-17H2
InChIKeyCNXZYOPQAZISFM-UHFFFAOYSA-N
XLogP5.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 134789133) is 1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one is O=C1N(c2ccccc2)c2ccccc2C12CCN(Cc1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of 1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is CNXZYOPQAZISFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N2O/c26-25(27,28)19-12-10-18(11-13-19)16-29-15-14-24(17-29)21-8-4-5-9-22(21)30(23(24)31)20-6-2-1-3-7-20/h1-13H,14-17H2.
What are the key properties of 1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 422.45 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134789133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).