2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide

C24H16Cl2FN3O3S — CID 16633371

About 2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide

2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide (PubChem CID 16633371) has the molecular formula C24H16Cl2FN3O3S and a molecular weight of 516.38 g/mol. Its IUPAC name is 2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide
• PubChem CID: 16633371
• Molecular Formula: C24H16Cl2FN3O3S
• Molecular Weight: 516.38 g/mol
• Exact Mass: 515.03
• IUPAC Name: 2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide
• SMILES: [H]/N=C1\S/C(=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1
• InChI: InChI=1S/C24H16Cl2FN3O3S/c25-15-1-6-18(7-2-15)29-22(31)13-33-20-10-3-16(26)11-14(20)12-21-23(32)30(24(28)34-21)19-8-4-17(27)5-9-19/h1-12,28H,13H2,(H,29,31)/b21-12-,28-24-
• InChIKey: UIXXJHIZPLRNFL-ZEEHGSAPSA-N
• XLogP: 6.21
• TPSA: 82.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.38
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide?

The IUPAC name of 2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide (CID 16633371) is 2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide.

What is the SMILES notation for 2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide?

The canonical SMILES for 2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide is [H]/N=C1\S/C(=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1.

What is the InChIKey of 2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide?

The InChIKey is UIXXJHIZPLRNFL-ZEEHGSAPSA-N. The full InChI is InChI=1S/C24H16Cl2FN3O3S/c25-15-1-6-18(7-2-15)29-22(31)13-33-20-10-3-16(26)11-14(20)12-21-23(32)30(24(28)34-21)19-8-4-17(27)5-9-19/h1-12,28H,13H2,(H,29,31)/b21-12-,28-24-.

What are the key properties of 2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide?

2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide has a molecular weight of 516.38 g/mol, XLogP of 6.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-2-[(Z)-[3-(4-fluorophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 16633371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).