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

C27H23F3N2O2 — CID 134795464

IUPAC1-(2-phenylethyl)-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(C1)C(=O)N(CCc1ccccc1)c1ccccc12
InChIInChI=1S/C27H23F3N2O2/c28-27(29,30)21-12-10-20(11-13-21)24(33)31-17-15-26(18-31)22-8-4-5-9-23(22)32(25(26)34)16-14-19-6-2-1-3-7-19/h1-13H,14-18H2
InChIKeyHYTGBDIZHHIOBS-UHFFFAOYSA-N
MW464.49 g/mol
LogP5.08
Rot. Bonds4

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

1-(2-phenylethyl)-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 134795464) has the molecular formula C27H23F3N2O2 and a molecular weight of 464.49 g/mol. Its IUPAC name is 1-(2-phenylethyl)-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-(2-phenylethyl)-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID134795464
Molecular FormulaC27H23F3N2O2
Molecular Weight464.49 g/mol
Exact Mass464.17
IUPAC Name1-(2-phenylethyl)-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(C1)C(=O)N(CCc1ccccc1)c1ccccc12
InChIInChI=1S/C27H23F3N2O2/c28-27(29,30)21-12-10-20(11-13-21)24(33)31-17-15-26(18-31)22-8-4-5-9-23(22)32(25(26)34)16-14-19-6-2-1-3-7-19/h1-13H,14-18H2
InChIKeyHYTGBDIZHHIOBS-UHFFFAOYSA-N
XLogP5.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.49
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-(2-phenylethyl)-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 134795464) is 1-(2-phenylethyl)-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-(2-phenylethyl)-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-(2-phenylethyl)-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(CCc1ccccc1)c1ccccc12.
What is the InChIKey of 1-(2-phenylethyl)-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is HYTGBDIZHHIOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N2O2/c28-27(29,30)21-12-10-20(11-13-21)24(33)31-17-15-26(18-31)22-8-4-5-9-23(22)32(25(26)34)16-14-19-6-2-1-3-7-19/h1-13H,14-18H2.
What are the key properties of 1-(2-phenylethyl)-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1-(2-phenylethyl)-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 464.49 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134795464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).