2-chloro-N-(furan-2-ylmethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C23H17ClF3N3O3 — CID 42808948

About 2-chloro-N-(furan-2-ylmethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide

2-chloro-N-(furan-2-ylmethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 42808948) has the molecular formula C23H17ClF3N3O3 and a molecular weight of 475.85 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-(furan-2-ylmethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
• PubChem CID: 42808948
• Molecular Formula: C23H17ClF3N3O3
• Molecular Weight: 475.85 g/mol
• Exact Mass: 475.09
• IUPAC Name: 2-chloro-N-(furan-2-ylmethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
• SMILES: O=C(c1ccccc1Cl)N(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1ccco1
• InChI: InChI=1S/C23H17ClF3N3O3/c24-19-9-2-1-8-18(19)22(31)30(14-17-7-4-12-32-17)11-10-20-28-21(29-33-20)15-5-3-6-16(13-15)23(25,26)27/h1-9,12-13H,10-11,14H2
• InChIKey: XIAPHYPZTUQWSQ-UHFFFAOYSA-N
• XLogP: 5.89
• TPSA: 72.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.85
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 42808948) is 2-chloro-N-(furan-2-ylmethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

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

The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is O=C(c1ccccc1Cl)N(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1ccco1.

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

The InChIKey is XIAPHYPZTUQWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N3O3/c24-19-9-2-1-8-18(19)22(31)30(14-17-7-4-12-32-17)11-10-20-28-21(29-33-20)15-5-3-6-16(13-15)23(25,26)27/h1-9,12-13H,10-11,14H2.

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

2-chloro-N-(furan-2-ylmethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 475.85 g/mol, XLogP of 5.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(furan-2-ylmethyl)-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 42808948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).