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

C31H19ClF7N3O3 — CID 11239188

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

N-[2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 11239188) has the molecular formula C31H19ClF7N3O3 and a molecular weight of 649.95 g/mol. Its IUPAC name is N-[2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 11239188
• Molecular Formula: C31H19ClF7N3O3
• Molecular Weight: 649.95 g/mol
• Exact Mass: 649.10
• IUPAC Name: N-[2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzamide
• SMILES: O=C(NC(Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)c1nc(C(F)(F)F)no1)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O
• InChI: InChI=1S/C31H19ClF7N3O3/c32-23-15-20(7-11-24(23)33)17-3-1-16(2-4-17)13-25(28-41-29(42-45-28)31(37,38)39)40-27(44)22-14-19(8-12-26(22)43)18-5-9-21(10-6-18)30(34,35)36/h1-12,14-15,25,43H,13H2,(H,40,44)
• InChIKey: JUTMVEYFXMOVNW-UHFFFAOYSA-N
• XLogP: 8.65
• TPSA: 88.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	649.95
LogP ≤ 5	8.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzamide (CID 11239188) is N-[2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzamide.

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

The canonical SMILES for N-[2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzamide is O=C(NC(Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)c1nc(C(F)(F)F)no1)c1cc(-c2ccc(C(F)(F)F)cc2)ccc1O.

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

The InChIKey is JUTMVEYFXMOVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19ClF7N3O3/c32-23-15-20(7-11-24(23)33)17-3-1-16(2-4-17)13-25(28-41-29(42-45-28)31(37,38)39)40-27(44)22-14-19(8-12-26(22)43)18-5-9-21(10-6-18)30(34,35)36/h1-12,14-15,25,43H,13H2,(H,40,44).

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

N-[2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 649.95 g/mol, XLogP of 8.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-hydroxy-5-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 11239188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).