1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

C24H17ClF2N2O2S — CID 46016977

IUPAC1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESO=C(c1ccc(F)cc1)N1CCSC12C(=O)N(Cc1ccccc1Cl)c1ccc(F)cc12
InChIInChI=1S/C24H17ClF2N2O2S/c25-20-4-2-1-3-16(20)14-28-21-10-9-18(27)13-19(21)24(23(28)31)29(11-12-32-24)22(30)15-5-7-17(26)8-6-15/h1-10,13H,11-12,14H2
InChIKeyQZUZMQJKBDJTTH-UHFFFAOYSA-N
MW470.93 g/mol
LogP5.21
Rot. Bonds3

About 1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one

1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (PubChem CID 46016977) has the molecular formula C24H17ClF2N2O2S and a molecular weight of 470.93 g/mol. Its IUPAC name is 1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.

Molecular Properties

Compound Name1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
PubChem CID46016977
Molecular FormulaC24H17ClF2N2O2S
Molecular Weight470.93 g/mol
Exact Mass470.07
IUPAC Name1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
SMILESO=C(c1ccc(F)cc1)N1CCSC12C(=O)N(Cc1ccccc1Cl)c1ccc(F)cc12
InChIInChI=1S/C24H17ClF2N2O2S/c25-20-4-2-1-3-16(20)14-28-21-10-9-18(27)13-19(21)24(23(28)31)29(11-12-32-24)22(30)15-5-7-17(26)8-6-15/h1-10,13H,11-12,14H2
InChIKeyQZUZMQJKBDJTTH-UHFFFAOYSA-N
XLogP5.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.93
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016983
1'-[(2-chlorophenyl)methyl]-3-(3-fluorobenzoyl)-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016903
1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017183
(2R)-1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(2-methoxyacetyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186622
(2S)-1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(3-methylbutanoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93186603
(2S)-1'-[(2-chlorophenyl)methyl]-5'-methoxy-3-(4-methylbenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 93187053
5'-fluoro-3-(4-methylbenzoyl)-1'-[(4-methylphenyl)methyl]spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016944
(2S)-N-(3-chlorophenyl)-1'-[(2-chlorophenyl)methyl]-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 93185076
3-(4-chlorobenzoyl)-1'-[(2-fluorophenyl)methyl]-5'-methoxyspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017098
1'-[(2-chlorophenyl)methyl]-N-(3,4-dimethylphenyl)-5'-fluoro-2'-oxospiro[1,3-thiazolidine-2,3'-indole]-3-carboxamide
CID 42839140
3-acetyl-1'-[(2-chlorophenyl)methyl]-5'-methylspiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46016894
1'-[(2-fluorophenyl)methyl]-5'-methoxy-3-(4-methoxybenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one
CID 46017090

Frequently Asked Questions

What is the IUPAC name of 1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The IUPAC name of 1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one (CID 46016977) is 1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one.
What is the SMILES notation for 1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The canonical SMILES for 1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is O=C(c1ccc(F)cc1)N1CCSC12C(=O)N(Cc1ccccc1Cl)c1ccc(F)cc12.
What is the InChIKey of 1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
The InChIKey is QZUZMQJKBDJTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClF2N2O2S/c25-20-4-2-1-3-16(20)14-28-21-10-9-18(27)13-19(21)24(23(28)31)29(11-12-32-24)22(30)15-5-7-17(26)8-6-15/h1-10,13H,11-12,14H2.
What are the key properties of 1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one?
1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one has a molecular weight of 470.93 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(2-chlorophenyl)methyl]-5'-fluoro-3-(4-fluorobenzoyl)spiro[1,3-thiazolidine-2,3'-indole]-2'-one is sourced from PubChem (CID 46016977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).