1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

C18H12ClFN2O3S — CID 16765542

IUPAC1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCC(=O)N1C(=O)C2(SCC(=O)N2c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H12ClFN2O3S/c1-10(23)21-15-5-3-2-4-12(15)18(17(21)25)22(16(24)9-26-18)11-6-7-14(20)13(19)8-11/h2-8H,9H2,1H3
InChIKeyUIBCOTYLBQPBOU-UHFFFAOYSA-N
MW390.82 g/mol
LogP3.31
Rot. Bonds1

About 1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione

1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (PubChem CID 16765542) has the molecular formula C18H12ClFN2O3S and a molecular weight of 390.82 g/mol. Its IUPAC name is 1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
PubChem CID16765542
Molecular FormulaC18H12ClFN2O3S
Molecular Weight390.82 g/mol
Exact Mass390.02
IUPAC Name1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
SMILESCC(=O)N1C(=O)C2(SCC(=O)N2c2ccc(F)c(Cl)c2)c2ccccc21
InChIInChI=1S/C18H12ClFN2O3S/c1-10(23)21-15-5-3-2-4-12(15)18(17(21)25)22(16(24)9-26-18)11-6-7-14(20)13(19)8-11/h2-8H,9H2,1H3
InChIKeyUIBCOTYLBQPBOU-UHFFFAOYSA-N
XLogP3.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The IUPAC name of 1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione (CID 16765542) is 1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione.
What is the SMILES notation for 1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The canonical SMILES for 1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is CC(=O)N1C(=O)C2(SCC(=O)N2c2ccc(F)c(Cl)c2)c2ccccc21.
What is the InChIKey of 1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
The InChIKey is UIBCOTYLBQPBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2O3S/c1-10(23)21-15-5-3-2-4-12(15)18(17(21)25)22(16(24)9-26-18)11-6-7-14(20)13(19)8-11/h2-8H,9H2,1H3.
What are the key properties of 1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione?
1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione has a molecular weight of 390.82 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-3-(3-chloro-4-fluorophenyl)spiro[1,3-thiazolidine-2,3'-indole]-2',4-dione is sourced from PubChem (CID 16765542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).