3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

C21H20ClFN2O2S — CID 46015216

IUPAC3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(SC(C)(C)CN2C(=O)c2ccc(Cl)cc2)c2cc(F)ccc21
InChIInChI=1S/C21H20ClFN2O2S/c1-4-24-17-10-9-15(23)11-16(17)21(19(24)27)25(12-20(2,3)28-21)18(26)13-5-7-14(22)8-6-13/h5-11H,4,12H2,1-3H3
InChIKeyFLTDXGZAOYFGSN-UHFFFAOYSA-N
MW418.92 g/mol
LogP4.67
Rot. Bonds2

About 3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one

3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46015216) has the molecular formula C21H20ClFN2O2S and a molecular weight of 418.92 g/mol. Its IUPAC name is 3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID46015216
Molecular FormulaC21H20ClFN2O2S
Molecular Weight418.92 g/mol
Exact Mass418.09
IUPAC Name3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESCCN1C(=O)C2(SC(C)(C)CN2C(=O)c2ccc(Cl)cc2)c2cc(F)ccc21
InChIInChI=1S/C21H20ClFN2O2S/c1-4-24-17-10-9-15(23)11-16(17)21(19(24)27)25(12-20(2,3)28-21)18(26)13-5-7-14(22)8-6-13/h5-11H,4,12H2,1-3H3
InChIKeyFLTDXGZAOYFGSN-UHFFFAOYSA-N
XLogP4.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.92
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one with MolForge

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Related Compounds

(2R)-1'-ethyl-5'-fluoro-3-(4-methoxybenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180584
(2S)-1'-benzyl-5'-chloro-3-(4-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181772
(2R)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181079
1'-ethyl-5'-fluoro-5,5-dimethyl-2'-oxo-N-phenylspiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015085
(2R)-3-(3-chlorobenzoyl)-1'-ethyl-5'-fluorospiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180873
1'-benzyl-3-(4-fluorobenzoyl)-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015298
1'-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015290
(2R)-1'-benzyl-5,5,5'-trimethyl-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180538
1'-ethyl-N-(3-fluorophenyl)-5,5-dimethyl-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 46015169
(2R)-1'-benzyl-3-(3-fluorobenzoyl)-5,5,5'-trimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93180546
3-(4-fluorobenzoyl)-5,5-dimethyl-1'-[(2-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46015312
(2S)-3-(2-fluorobenzoyl)-1'-[(4-fluorophenyl)methyl]-5,5,5'-trimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93181091

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46015216) is 3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is CCN1C(=O)C2(SC(C)(C)CN2C(=O)c2ccc(Cl)cc2)c2cc(F)ccc21.
What is the InChIKey of 3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is FLTDXGZAOYFGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFN2O2S/c1-4-24-17-10-9-15(23)11-16(17)21(19(24)27)25(12-20(2,3)28-21)18(26)13-5-7-14(22)8-6-13/h5-11H,4,12H2,1-3H3.
What are the key properties of 3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one?
3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 418.92 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorobenzoyl)-1'-ethyl-5'-fluoro-5,5-dimethylspiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46015216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).