3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

C22H16BrFN2O2S — CID 93127167

About 3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93127167) has the molecular formula C22H16BrFN2O2S and a molecular weight of 471.35 g/mol. Its IUPAC name is 3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 93127167
• Molecular Formula: C22H16BrFN2O2S
• Molecular Weight: 471.35 g/mol
• Exact Mass: 470.01
• IUPAC Name: 3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: O=C(Nc1cccc([C@H]2SCC(=O)N2c2cccc(F)c2)c1)c1cccc(Br)c1
• InChI: InChI=1S/C22H16BrFN2O2S/c23-16-6-1-4-14(10-16)21(28)25-18-8-2-5-15(11-18)22-26(20(27)13-29-22)19-9-3-7-17(24)12-19/h1-12,22H,13H2,(H,25,28)/t22-/m1/s1
• InChIKey: NNZIZAMWIXPHIS-JOCHJYFZSA-N
• XLogP: 5.62
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.35
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93127167) is 3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is O=C(Nc1cccc([C@H]2SCC(=O)N2c2cccc(F)c2)c1)c1cccc(Br)c1.

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

The InChIKey is NNZIZAMWIXPHIS-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H16BrFN2O2S/c23-16-6-1-4-14(10-16)21(28)25-18-8-2-5-15(11-18)22-26(20(27)13-29-22)19-9-3-7-17(24)12-19/h1-12,22H,13H2,(H,25,28)/t22-/m1/s1.

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

3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 471.35 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[3-[(2R)-3-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93127167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).