N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide

C24H16ClF2N3O3S — CID 20922395

IUPACN-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
SMILESO=C(CN1C(=O)C2(SCC(=O)N2c2ccc(F)c(F)c2)c2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H16ClF2N3O3S/c25-14-5-7-15(8-6-14)28-21(31)12-29-20-4-2-1-3-17(20)24(23(29)33)30(22(32)13-34-24)16-9-10-18(26)19(27)11-16/h1-11H,12-13H2,(H,28,31)
InChIKeySJARODGFWJRBKN-UHFFFAOYSA-N
MW499.93 g/mol
LogP4.54
Rot. Bonds4

About N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide

N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide (PubChem CID 20922395) has the molecular formula C24H16ClF2N3O3S and a molecular weight of 499.93 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
PubChem CID20922395
Molecular FormulaC24H16ClF2N3O3S
Molecular Weight499.93 g/mol
Exact Mass499.06
IUPAC NameN-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
SMILESO=C(CN1C(=O)C2(SCC(=O)N2c2ccc(F)c(F)c2)c2ccccc21)Nc1ccc(Cl)cc1
InChIInChI=1S/C24H16ClF2N3O3S/c25-14-5-7-15(8-6-14)28-21(31)12-29-20-4-2-1-3-17(20)24(23(29)33)30(22(32)13-34-24)16-9-10-18(26)19(27)11-16/h1-11H,12-13H2,(H,28,31)
InChIKeySJARODGFWJRBKN-UHFFFAOYSA-N
XLogP4.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.93
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
CID 51608192
2-[3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-phenylacetamide
CID 20922333
2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 41434580
N-(4-chlorophenyl)-2-[3-(3-methoxyphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922384
2-[(2S)-3-(3-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-ethylphenyl)acetamide
CID 41434583
N-(3,4-dimethylphenyl)-2-[3-(3,4-dimethylphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 20922352
2-[(2S)-3-(4-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
CID 92692090
N-(4-fluorophenyl)-2-[(2R)-3-(4-methoxyphenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
CID 51608180
2-[(2S)-2',4-dioxo-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methylphenyl)acetamide
CID 92691950
2-[(2R)-3-(3-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
CID 92692077
2-[(2S)-3-(3-fluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(4-methoxyphenyl)acetamide
CID 92692076
2-[(2S)-3-(4-chlorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]-N-(2,4-dimethylphenyl)acetamide
CID 51608099

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide (CID 20922395) is N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide is O=C(CN1C(=O)C2(SCC(=O)N2c2ccc(F)c(F)c2)c2ccccc21)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The InChIKey is SJARODGFWJRBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClF2N3O3S/c25-14-5-7-15(8-6-14)28-21(31)12-29-20-4-2-1-3-17(20)24(23(29)33)30(22(32)13-34-24)16-9-10-18(26)19(27)11-16/h1-11H,12-13H2,(H,28,31).
What are the key properties of N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide has a molecular weight of 499.93 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[3-(3,4-difluorophenyl)-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide is sourced from PubChem (CID 20922395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).