N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide

C20H16Cl2F3N3O2S — CID 21368670

About N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide

N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (PubChem CID 21368670) has the molecular formula C20H16Cl2F3N3O2S and a molecular weight of 490.33 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 21368670
• Molecular Formula: C20H16Cl2F3N3O2S
• Molecular Weight: 490.33 g/mol
• Exact Mass: 489.03
• IUPAC Name: N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide
• SMILES: CCN1C(=O)C(CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1
• InChI: InChI=1S/C20H16Cl2F3N3O2S/c1-2-28-18(30)16(10-17(29)26-12-5-3-11(21)4-6-12)31-19(28)27-13-7-8-15(22)14(9-13)20(23,24)25/h3-9,16H,2,10H2,1H3,(H,26,29)/b27-19-
• InChIKey: UZYFIEOGGBXJQH-DIBXZPPDSA-N
• XLogP: 5.99
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.33
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide (CID 21368670) is N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is CCN1C(=O)C(CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(Cl)c(C(F)(F)F)c1.

What is the InChIKey of N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is UZYFIEOGGBXJQH-DIBXZPPDSA-N. The full InChI is InChI=1S/C20H16Cl2F3N3O2S/c1-2-28-18(30)16(10-17(29)26-12-5-3-11(21)4-6-12)31-19(28)27-13-7-8-15(22)14(9-13)20(23,24)25/h3-9,16H,2,10H2,1H3,(H,26,29)/b27-19-.

What are the key properties of N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide?

N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 490.33 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-2-[2-[4-chloro-3-(trifluoromethyl)phenyl]imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 21368670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).