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

C20H11F4N3O4 — CID 142440388

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

2-(difluoromethoxy)-5-fluoro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (PubChem CID 142440388) has the molecular formula C20H11F4N3O4 and a molecular weight of 433.32 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-fluoro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-(difluoromethoxy)-5-fluoro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
• PubChem CID: 142440388
• Molecular Formula: C20H11F4N3O4
• Molecular Weight: 433.32 g/mol
• Exact Mass: 433.07
• IUPAC Name: 2-(difluoromethoxy)-5-fluoro-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(F)ccc1OC(F)F
• InChI: InChI=1S/C20H11F4N3O4/c21-11-4-6-15(30-20(23)24)12(9-11)17(28)25-14-8-10(3-5-13(14)22)18-26-27-19(31-18)16-2-1-7-29-16/h1-9,20H,(H,25,28)
• InChIKey: CJHXCNVHSWQDBN-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 90.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.32
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-(difluoromethoxy)-5-fluoro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide (CID 142440388) is 2-(difluoromethoxy)-5-fluoro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide.

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

The canonical SMILES for 2-(difluoromethoxy)-5-fluoro-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(F)ccc1OC(F)F.

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

The InChIKey is CJHXCNVHSWQDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F4N3O4/c21-11-4-6-15(30-20(23)24)12(9-11)17(28)25-14-8-10(3-5-13(14)22)18-26-27-19(31-18)16-2-1-7-29-16/h1-9,20H,(H,25,28).

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

2-(difluoromethoxy)-5-fluoro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide has a molecular weight of 433.32 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(difluoromethoxy)-5-fluoro-N-[2-fluoro-5-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 142440388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).