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

C25H19F3N2O2 — CID 134789250

IUPAC1-phenyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(C1)C(=O)N(c1ccccc1)c1ccccc12
InChIInChI=1S/C25H19F3N2O2/c26-25(27,28)18-12-10-17(11-13-18)22(31)29-15-14-24(16-29)20-8-4-5-9-21(20)30(23(24)32)19-6-2-1-3-7-19/h1-13H,14-16H2
InChIKeyLMYKTROUWGKZHZ-UHFFFAOYSA-N
MW436.43 g/mol
LogP5.17
Rot. Bonds2

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

1-phenyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 134789250) has the molecular formula C25H19F3N2O2 and a molecular weight of 436.43 g/mol. Its IUPAC name is 1-phenyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-phenyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID134789250
Molecular FormulaC25H19F3N2O2
Molecular Weight436.43 g/mol
Exact Mass436.14
IUPAC Name1-phenyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(C1)C(=O)N(c1ccccc1)c1ccccc12
InChIInChI=1S/C25H19F3N2O2/c26-25(27,28)18-12-10-17(11-13-18)22(31)29-15-14-24(16-29)20-8-4-5-9-21(20)30(23(24)32)19-6-2-1-3-7-19/h1-13H,14-16H2
InChIKeyLMYKTROUWGKZHZ-UHFFFAOYSA-N
XLogP5.17
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.43
LogP ≤ 55.17
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)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-phenyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 134789250) is 1-phenyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-phenyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-phenyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one is O=C(c1ccc(C(F)(F)F)cc1)N1CCC2(C1)C(=O)N(c1ccccc1)c1ccccc12.
What is the InChIKey of 1-phenyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is LMYKTROUWGKZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O2/c26-25(27,28)18-12-10-17(11-13-18)22(31)29-15-14-24(16-29)20-8-4-5-9-21(20)30(23(24)32)19-6-2-1-3-7-19/h1-13H,14-16H2.
What are the key properties of 1-phenyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1-phenyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 436.43 g/mol, XLogP of 5.17, 2 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)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134789250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).