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

C32H23F6N3O3 — CID 11330971

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

5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylphenyl)ethyl]benzamide (PubChem CID 11330971) has the molecular formula C32H23F6N3O3 and a molecular weight of 611.54 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylphenyl)ethyl]benzamide.

Molecular Properties

• Compound Name: 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylphenyl)ethyl]benzamide
• PubChem CID: 11330971
• Molecular Formula: C32H23F6N3O3
• Molecular Weight: 611.54 g/mol
• Exact Mass: 611.16
• IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylphenyl)ethyl]benzamide
• SMILES: Cc1noc([C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2O)n1
• InChI: InChI=1S/C32H23F6N3O3/c1-18-39-30(44-41-18)27(13-19-7-9-21(10-8-19)20-5-3-2-4-6-20)40-29(43)26-16-22(11-12-28(26)42)23-14-24(31(33,34)35)17-25(15-23)32(36,37)38/h2-12,14-17,27,42H,13H2,1H3,(H,40,43)/t27-/m1/s1
• InChIKey: JAYUTWKEWCXTHU-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 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylphenyl)ethyl]benzamide?

The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylphenyl)ethyl]benzamide (CID 11330971) is 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylphenyl)ethyl]benzamide.

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

The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylphenyl)ethyl]benzamide is Cc1noc([C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2O)n1.

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

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

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

5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylphenyl)ethyl]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 5-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)-2-(4-phenylphenyl)ethyl]benzamide is sourced from PubChem (CID 11330971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).