N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

C24H16F3N3O3S — CID 26207842

About N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (PubChem CID 26207842) has the molecular formula C24H16F3N3O3S and a molecular weight of 483.47 g/mol. Its IUPAC name is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.

Molecular Properties

• Compound Name: N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
• PubChem CID: 26207842
• Molecular Formula: C24H16F3N3O3S
• Molecular Weight: 483.47 g/mol
• Exact Mass: 483.09
• IUPAC Name: N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
• SMILES: O=C(COc1ccccc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1)Nc1ccccc1F
• InChI: InChI=1S/C24H16F3N3O3S/c25-14-9-10-17(26)16(11-14)20-13-34-24(29-20)30-23(32)15-5-1-4-8-21(15)33-12-22(31)28-19-7-3-2-6-18(19)27/h1-11,13H,12H2,(H,28,31)(H,29,30,32)
• InChIKey: UCHLOZDEWKNYCO-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 80.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.47
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?

The IUPAC name of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide (CID 26207842) is N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide.

What is the SMILES notation for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?

The canonical SMILES for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is O=C(COc1ccccc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1)Nc1ccccc1F.

What is the InChIKey of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?

The InChIKey is UCHLOZDEWKNYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F3N3O3S/c25-14-9-10-17(26)16(11-14)20-13-34-24(29-20)30-23(32)15-5-1-4-8-21(15)33-12-22(31)28-19-7-3-2-6-18(19)27/h1-11,13H,12H2,(H,28,31)(H,29,30,32).

What are the key properties of N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide?

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide has a molecular weight of 483.47 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 26207842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).