N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide

C25H22ClFN2O2S — CID 130385905

About N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide

N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide (PubChem CID 130385905) has the molecular formula C25H22ClFN2O2S and a molecular weight of 468.98 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
• PubChem CID: 130385905
• Molecular Formula: C25H22ClFN2O2S
• Molecular Weight: 468.98 g/mol
• Exact Mass: 468.11
• IUPAC Name: N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide
• SMILES: Cc1cc(C(=O)NCCc2ccccc2Cl)ccc1N1C(=O)CSC1c1ccc(F)cc1
• InChI: InChI=1S/C25H22ClFN2O2S/c1-16-14-19(24(31)28-13-12-17-4-2-3-5-21(17)26)8-11-22(16)29-23(30)15-32-25(29)18-6-9-20(27)10-7-18/h2-11,14,25H,12-13,15H2,1H3,(H,28,31)
• InChIKey: IHXHDJILTFFZLF-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.98
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide?

The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide (CID 130385905) is N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide.

What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide?

The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide is Cc1cc(C(=O)NCCc2ccccc2Cl)ccc1N1C(=O)CSC1c1ccc(F)cc1.

What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide?

The InChIKey is IHXHDJILTFFZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN2O2S/c1-16-14-19(24(31)28-13-12-17-4-2-3-5-21(17)26)8-11-22(16)29-23(30)15-32-25(29)18-6-9-20(27)10-7-18/h2-11,14,25H,12-13,15H2,1H3,(H,28,31).

What are the key properties of N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide?

N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide has a molecular weight of 468.98 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzamide is sourced from PubChem (CID 130385905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).