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

C21H13ClF3N3O4 — CID 135347254

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

5-chloro-2-(2,2-difluoroethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 135347254) has the molecular formula C21H13ClF3N3O4 and a molecular weight of 463.80 g/mol. Its IUPAC name is 5-chloro-2-(2,2-difluoroethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-2-(2,2-difluoroethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
• PubChem CID: 135347254
• Molecular Formula: C21H13ClF3N3O4
• Molecular Weight: 463.80 g/mol
• Exact Mass: 463.05
• IUPAC Name: 5-chloro-2-(2,2-difluoroethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
• SMILES: O=C(Nc1cc(-c2nnc(-c3ccco3)o2)ccc1F)c1cc(Cl)ccc1OCC(F)F
• InChI: InChI=1S/C21H13ClF3N3O4/c22-12-4-6-16(31-10-18(24)25)13(9-12)19(29)26-15-8-11(3-5-14(15)23)20-27-28-21(32-20)17-2-1-7-30-17/h1-9,18H,10H2,(H,26,29)
• InChIKey: BBSWYUPSLBLOCP-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 90.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.80
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-chloro-2-(2,2-difluoroethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 135347254) is 5-chloro-2-(2,2-difluoroethoxy)-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-(2,2-difluoroethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide?

The canonical SMILES for 5-chloro-2-(2,2-difluoroethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is O=C(Nc1cc(-c2nnc(-c3ccco3)o2)ccc1F)c1cc(Cl)ccc1OCC(F)F.

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

The InChIKey is BBSWYUPSLBLOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3N3O4/c22-12-4-6-16(31-10-18(24)25)13(9-12)19(29)26-15-8-11(3-5-14(15)23)20-27-28-21(32-20)17-2-1-7-30-17/h1-9,18H,10H2,(H,26,29).

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

5-chloro-2-(2,2-difluoroethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 463.80 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(2,2-difluoroethoxy)-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 135347254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).