5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide

C21H15ClFN3O4 — CID 135347176

About 5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide

5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 135347176) has the molecular formula C21H15ClFN3O4 and a molecular weight of 427.82 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
• PubChem CID: 135347176
• Molecular Formula: C21H15ClFN3O4
• Molecular Weight: 427.82 g/mol
• Exact Mass: 427.07
• IUPAC Name: 5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
• SMILES: CCOc1ccc(Cl)cc1C(=O)Nc1cc(-c2nnc(-c3ccco3)o2)ccc1F
• InChI: InChI=1S/C21H15ClFN3O4/c1-2-28-17-8-6-13(22)11-14(17)19(27)24-16-10-12(5-7-15(16)23)20-25-26-21(30-20)18-4-3-9-29-18/h3-11H,2H2,1H3,(H,24,27)
• InChIKey: IJVDCOXBUMKSGV-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 90.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.82
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?

The IUPAC name of 5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 135347176) is 5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

What is the SMILES notation for 5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?

The canonical SMILES for 5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is CCOc1ccc(Cl)cc1C(=O)Nc1cc(-c2nnc(-c3ccco3)o2)ccc1F.

What is the InChIKey of 5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?

The InChIKey is IJVDCOXBUMKSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O4/c1-2-28-17-8-6-13(22)11-14(17)19(27)24-16-10-12(5-7-15(16)23)20-25-26-21(30-20)18-4-3-9-29-18/h3-11H,2H2,1H3,(H,24,27).

What are the key properties of 5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?

5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 427.82 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-ethoxy-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 135347176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).