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

C26H21F3N2O2 — CID 134795275

IUPAC1-benzyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(C1)C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C26H21F3N2O2/c27-26(28,29)20-12-10-19(11-13-20)23(32)30-15-14-25(17-30)21-8-4-5-9-22(21)31(24(25)33)16-18-6-2-1-3-7-18/h1-13H,14-17H2
InChIKeyKGWWFEJSXUGKJZ-UHFFFAOYSA-N
MW450.46 g/mol
LogP5.04
Rot. Bonds3

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

1-benzyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 134795275) has the molecular formula C26H21F3N2O2 and a molecular weight of 450.46 g/mol. Its IUPAC name is 1-benzyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-benzyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID134795275
Molecular FormulaC26H21F3N2O2
Molecular Weight450.46 g/mol
Exact Mass450.16
IUPAC Name1-benzyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC2(C1)C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C26H21F3N2O2/c27-26(28,29)20-12-10-19(11-13-20)23(32)30-15-14-25(17-30)21-8-4-5-9-22(21)31(24(25)33)16-18-6-2-1-3-7-18/h1-13H,14-17H2
InChIKeyKGWWFEJSXUGKJZ-UHFFFAOYSA-N
XLogP5.04
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.46
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-benzyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 134795275) is 1-benzyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-benzyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-benzyl-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(Cc1ccccc1)c1ccccc12.
What is the InChIKey of 1-benzyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is KGWWFEJSXUGKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N2O2/c27-26(28,29)20-12-10-19(11-13-20)23(32)30-15-14-25(17-30)21-8-4-5-9-22(21)31(24(25)33)16-18-6-2-1-3-7-18/h1-13H,14-17H2.
What are the key properties of 1-benzyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1-benzyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 450.46 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1'-[4-(trifluoromethyl)benzoyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 134795275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).