5-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxybenzamide

C32H21ClF7N3O3 — CID 11342810

About 5-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxybenzamide

5-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxybenzamide (PubChem CID 11342810) has the molecular formula C32H21ClF7N3O3 and a molecular weight of 663.98 g/mol. Its IUPAC name is 5-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxybenzamide.

Molecular Properties

• Compound Name: 5-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxybenzamide
• PubChem CID: 11342810
• Molecular Formula: C32H21ClF7N3O3
• Molecular Weight: 663.98 g/mol
• Exact Mass: 663.12
• IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxybenzamide
• SMILES: Cc1noc([C@@H](Cc2ccc(-c3ccc(F)c(Cl)c3)cc2)NC(=O)c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2O)n1
• InChI: InChI=1S/C32H21ClF7N3O3/c1-16-41-30(46-43-16)27(10-17-2-4-18(5-3-17)20-6-8-26(34)25(33)14-20)42-29(45)24-13-19(7-9-28(24)44)21-11-22(31(35,36)37)15-23(12-21)32(38,39)40/h2-9,11-15,27,44H,10H2,1H3,(H,42,45)/t27-/m1/s1
• InChIKey: GHVLTMOXWWGXSQ-HHHXNRCGSA-N
• XLogP: 8.96
• TPSA: 88.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	663.98
LogP ≤ 5	8.96
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]-N-[(1R)-2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxybenzamide?

The IUPAC name of 5-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxybenzamide (CID 11342810) is 5-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxybenzamide.

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

The canonical SMILES for 5-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxybenzamide is Cc1noc([C@@H](Cc2ccc(-c3ccc(F)c(Cl)c3)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]-N-[(1R)-2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxybenzamide?

The InChIKey is GHVLTMOXWWGXSQ-HHHXNRCGSA-N. The full InChI is InChI=1S/C32H21ClF7N3O3/c1-16-41-30(46-43-16)27(10-17-2-4-18(5-3-17)20-6-8-26(34)25(33)14-20)42-29(45)24-13-19(7-9-28(24)44)21-11-22(31(35,36)37)15-23(12-21)32(38,39)40/h2-9,11-15,27,44H,10H2,1H3,(H,42,45)/t27-/m1/s1.

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

5-[3,5-bis(trifluoromethyl)phenyl]-N-[(1R)-2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxybenzamide has a molecular weight of 663.98 g/mol, XLogP of 8.96, 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]-N-[(1R)-2-[4-(3-chloro-4-fluorophenyl)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-hydroxybenzamide is sourced from PubChem (CID 11342810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).