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

C24H20ClFN2O2S — CID 93127406

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

(2R)-2-chloro-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide (PubChem CID 93127406) has the molecular formula C24H20ClFN2O2S and a molecular weight of 454.95 g/mol. Its IUPAC name is (2R)-2-chloro-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-2-chloro-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
• PubChem CID: 93127406
• Molecular Formula: C24H20ClFN2O2S
• Molecular Weight: 454.95 g/mol
• Exact Mass: 454.09
• IUPAC Name: (2R)-2-chloro-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide
• SMILES: Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)[C@H](Cl)c2ccccc2)c1
• InChI: InChI=1S/C24H20ClFN2O2S/c1-15-19(26)11-6-12-20(15)28-21(29)14-31-24(28)17-9-5-10-18(13-17)27-23(30)22(25)16-7-3-2-4-8-16/h2-13,22,24H,14H2,1H3,(H,27,30)/t22-,24-/m1/s1
• InChIKey: GYCLLHIFKIZDCW-ISKFKSNPSA-N
• XLogP: 5.83
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.95
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (2R)-2-chloro-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide (CID 93127406) is (2R)-2-chloro-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide.

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

The canonical SMILES for (2R)-2-chloro-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide is Cc1c(F)cccc1N1C(=O)CS[C@@H]1c1cccc(NC(=O)[C@H](Cl)c2ccccc2)c1.

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

The InChIKey is GYCLLHIFKIZDCW-ISKFKSNPSA-N. The full InChI is InChI=1S/C24H20ClFN2O2S/c1-15-19(26)11-6-12-20(15)28-21(29)14-31-24(28)17-9-5-10-18(13-17)27-23(30)22(25)16-7-3-2-4-8-16/h2-13,22,24H,14H2,1H3,(H,27,30)/t22-,24-/m1/s1.

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

(2R)-2-chloro-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide has a molecular weight of 454.95 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-chloro-N-[3-[(2R)-3-(3-fluoro-2-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 93127406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).