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

C32H23F6N3O3 — CID 11192802

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

2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 11192802) has the molecular formula C32H23F6N3O3 and a molecular weight of 611.54 g/mol. Its IUPAC name is 2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 11192802
• Molecular Formula: C32H23F6N3O3
• Molecular Weight: 611.54 g/mol
• Exact Mass: 611.16
• IUPAC Name: 2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide
• SMILES: Cc1noc([C@@H](Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)n1
• InChI: InChI=1S/C32H23F6N3O3/c1-18-39-30(44-41-18)27(16-19-2-4-20(5-3-19)21-6-11-24(12-7-21)31(33,34)35)40-29(43)26-17-23(10-15-28(26)42)22-8-13-25(14-9-22)32(36,37)38/h2-15,17,27,42H,16H2,1H3,(H,40,43)/t27-/m1/s1
• InChIKey: VRWYMCZRADJVJB-HHHXNRCGSA-N
• XLogP: 8.17
• TPSA: 88.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.54
LogP ≤ 5	8.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide (CID 11192802) is 2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide.

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

The canonical SMILES for 2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide is Cc1noc([C@@H](Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)NC(=O)c2cc(-c3ccc(C(F)(F)F)cc3)ccc2O)n1.

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

The InChIKey is VRWYMCZRADJVJB-HHHXNRCGSA-N. The full InChI is InChI=1S/C32H23F6N3O3/c1-18-39-30(44-41-18)27(16-19-2-4-20(5-3-19)21-6-11-24(12-7-21)31(33,34)35)40-29(43)26-17-23(10-15-28(26)42)22-8-13-25(14-9-22)32(36,37)38/h2-15,17,27,42H,16H2,1H3,(H,40,43)/t27-/m1/s1.

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

2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 611.54 g/mol, XLogP of 8.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-5-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 11192802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).