2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

C19H16Cl2FN3O2S — CID 21368849

About 2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide

2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 21368849) has the molecular formula C19H16Cl2FN3O2S and a molecular weight of 440.33 g/mol. Its IUPAC name is 2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
• PubChem CID: 21368849
• Molecular Formula: C19H16Cl2FN3O2S
• Molecular Weight: 440.33 g/mol
• Exact Mass: 439.03
• IUPAC Name: 2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide
• SMILES: CCN1C(=O)C(CC(=O)Nc2ccccc2F)S/C1=N\c1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C19H16Cl2FN3O2S/c1-2-25-18(27)16(10-17(26)24-15-6-4-3-5-14(15)22)28-19(25)23-13-8-11(20)7-12(21)9-13/h3-9,16H,2,10H2,1H3,(H,24,26)/b23-19-
• InChIKey: MXRMKPFEISWCAP-NMWGTECJSA-N
• XLogP: 5.11
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.33
LogP ≤ 5	5.11
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 2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide?

The IUPAC name of 2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide (CID 21368849) is 2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide.

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

The canonical SMILES for 2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is CCN1C(=O)C(CC(=O)Nc2ccccc2F)S/C1=N\c1cc(Cl)cc(Cl)c1.

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

The InChIKey is MXRMKPFEISWCAP-NMWGTECJSA-N. The full InChI is InChI=1S/C19H16Cl2FN3O2S/c1-2-25-18(27)16(10-17(26)24-15-6-4-3-5-14(15)22)28-19(25)23-13-8-11(20)7-12(21)9-13/h3-9,16H,2,10H2,1H3,(H,24,26)/b23-19-.

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

2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 440.33 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(3,5-dichlorophenyl)imino-3-ethyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 21368849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).