5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

C20H17F3N2O3 — CID 53177053

IUPAC5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)c3ccccc3C(F)(F)F)C1)C(=O)N2
InChIInChI=1S/C20H17F3N2O3/c1-28-12-6-7-16-15(10-12)19(18(27)24-16)8-9-25(11-19)17(26)13-4-2-3-5-14(13)20(21,22)23/h2-7,10H,8-9,11H2,1H3,(H,24,27)
InChIKeyFEYMSBMYDFTECV-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.45
Rot. Bonds2

About 5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one

5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 53177053) has the molecular formula C20H17F3N2O3 and a molecular weight of 390.36 g/mol. Its IUPAC name is 5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID53177053
Molecular FormulaC20H17F3N2O3
Molecular Weight390.36 g/mol
Exact Mass390.12
IUPAC Name5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1ccc2c(c1)C1(CCN(C(=O)c3ccccc3C(F)(F)F)C1)C(=O)N2
InChIInChI=1S/C20H17F3N2O3/c1-28-12-6-7-16-15(10-12)19(18(27)24-16)8-9-25(11-19)17(26)13-4-2-3-5-14(13)20(21,22)23/h2-7,10H,8-9,11H2,1H3,(H,24,27)
InChIKeyFEYMSBMYDFTECV-UHFFFAOYSA-N
XLogP3.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 53177053) is 5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1ccc2c(c1)C1(CCN(C(=O)c3ccccc3C(F)(F)F)C1)C(=O)N2.
What is the InChIKey of 5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is FEYMSBMYDFTECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3/c1-28-12-6-7-16-15(10-12)19(18(27)24-16)8-9-25(11-19)17(26)13-4-2-3-5-14(13)20(21,22)23/h2-7,10H,8-9,11H2,1H3,(H,24,27).
What are the key properties of 5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one?
5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 390.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1'-[2-(trifluoromethyl)benzoyl]spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 53177053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).