4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

C23H18F2N2O2S — CID 93127493

About 4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93127493) has the molecular formula C23H18F2N2O2S and a molecular weight of 424.47 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 93127493
• Molecular Formula: C23H18F2N2O2S
• Molecular Weight: 424.47 g/mol
• Exact Mass: 424.11
• IUPAC Name: 4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1
• InChI: InChI=1S/C23H18F2N2O2S/c1-14-2-11-19(25)20(12-14)27-21(28)13-30-23(27)16-5-9-18(10-6-16)26-22(29)15-3-7-17(24)8-4-15/h2-12,23H,13H2,1H3,(H,26,29)/t23-/m1/s1
• InChIKey: MXRJINUDIWQXGP-HSZRJFAPSA-N
• XLogP: 5.30
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.47
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

The IUPAC name of 4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93127493) is 4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

What is the SMILES notation for 4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

The canonical SMILES for 4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is Cc1ccc(F)c(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3ccc(F)cc3)cc2)c1.

What is the InChIKey of 4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

The InChIKey is MXRJINUDIWQXGP-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H18F2N2O2S/c1-14-2-11-19(25)20(12-14)27-21(28)13-30-23(27)16-5-9-18(10-6-16)26-22(29)15-3-7-17(24)8-4-15/h2-12,23H,13H2,1H3,(H,26,29)/t23-/m1/s1.

What are the key properties of 4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 424.47 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[4-[(2R)-3-(2-fluoro-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93127493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).