N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide

C25H19ClFN3O3S — CID 18579388

IUPACN-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
SMILESCc1cccc2c1N(CC(=O)Nc1cccc(Cl)c1)C(=O)C21SCC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C25H19ClFN3O3S/c1-15-4-2-7-20-23(15)29(13-21(31)28-18-6-3-5-16(26)12-18)24(33)25(20)30(22(32)14-34-25)19-10-8-17(27)9-11-19/h2-12H,13-14H2,1H3,(H,28,31)
InChIKeyPSGLECNZYINJHR-UHFFFAOYSA-N
MW495.96 g/mol
LogP4.71
Rot. Bonds4

About N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide

N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide (PubChem CID 18579388) has the molecular formula C25H19ClFN3O3S and a molecular weight of 495.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
PubChem CID18579388
Molecular FormulaC25H19ClFN3O3S
Molecular Weight495.96 g/mol
Exact Mass495.08
IUPAC NameN-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide
SMILESCc1cccc2c1N(CC(=O)Nc1cccc(Cl)c1)C(=O)C21SCC(=O)N1c1ccc(F)cc1
InChIInChI=1S/C25H19ClFN3O3S/c1-15-4-2-7-20-23(15)29(13-21(31)28-18-6-3-5-16(26)12-18)24(33)25(20)30(22(32)14-34-25)19-10-8-17(27)9-11-19/h2-12H,13-14H2,1H3,(H,28,31)
InChIKeyPSGLECNZYINJHR-UHFFFAOYSA-N
XLogP4.71
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.96
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide (CID 18579388) is N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide is Cc1cccc2c1N(CC(=O)Nc1cccc(Cl)c1)C(=O)C21SCC(=O)N1c1ccc(F)cc1.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
The InChIKey is PSGLECNZYINJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFN3O3S/c1-15-4-2-7-20-23(15)29(13-21(31)28-18-6-3-5-16(26)12-18)24(33)25(20)30(22(32)14-34-25)19-10-8-17(27)9-11-19/h2-12H,13-14H2,1H3,(H,28,31).
What are the key properties of N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide?
N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide has a molecular weight of 495.96 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)-7'-methyl-2',4-dioxospiro[1,3-thiazolidine-2,3'-indole]-1'-yl]acetamide is sourced from PubChem (CID 18579388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).