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

C32H24ClF4N3O4 — CID 91209144

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

N-[(1R)-2-[4-(3-chloro-4-fluorophenoxy)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxy-5-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 91209144) has the molecular formula C32H24ClF4N3O4 and a molecular weight of 626.01 g/mol. Its IUPAC name is N-[(1R)-2-[4-(3-chloro-4-fluorophenoxy)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxy-5-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

• Compound Name: N-[(1R)-2-[4-(3-chloro-4-fluorophenoxy)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxy-5-[4-(trifluoromethyl)phenyl]benzamide
• PubChem CID: 91209144
• Molecular Formula: C32H24ClF4N3O4
• Molecular Weight: 626.01 g/mol
• Exact Mass: 625.14
• IUPAC Name: N-[(1R)-2-[4-(3-chloro-4-fluorophenoxy)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxy-5-[4-(trifluoromethyl)phenyl]benzamide
• SMILES: COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)N[C@H](Cc1ccc(Oc2ccc(F)c(Cl)c2)cc1)c1nc(C)no1
• InChI: InChI=1S/C32H24ClF4N3O4/c1-18-38-31(44-40-18)28(15-19-3-10-23(11-4-19)43-24-12-13-27(34)26(33)17-24)39-30(41)25-16-21(7-14-29(25)42-2)20-5-8-22(9-6-20)32(35,36)37/h3-14,16-17,28H,15H2,1-2H3,(H,39,41)/t28-/m1/s1
• InChIKey: QJZLXOVKIXEDFL-MUUNZHRXSA-N
• XLogP: 8.37
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	626.01
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-2-[4-(3-chloro-4-fluorophenoxy)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxy-5-[4-(trifluoromethyl)phenyl]benzamide (CID 91209144) is N-[(1R)-2-[4-(3-chloro-4-fluorophenoxy)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxy-5-[4-(trifluoromethyl)phenyl]benzamide.

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

The canonical SMILES for N-[(1R)-2-[4-(3-chloro-4-fluorophenoxy)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxy-5-[4-(trifluoromethyl)phenyl]benzamide is COc1ccc(-c2ccc(C(F)(F)F)cc2)cc1C(=O)N[C@H](Cc1ccc(Oc2ccc(F)c(Cl)c2)cc1)c1nc(C)no1.

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

The InChIKey is QJZLXOVKIXEDFL-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H24ClF4N3O4/c1-18-38-31(44-40-18)28(15-19-3-10-23(11-4-19)43-24-12-13-27(34)26(33)17-24)39-30(41)25-16-21(7-14-29(25)42-2)20-5-8-22(9-6-20)32(35,36)37/h3-14,16-17,28H,15H2,1-2H3,(H,39,41)/t28-/m1/s1.

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

N-[(1R)-2-[4-(3-chloro-4-fluorophenoxy)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxy-5-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 626.01 g/mol, XLogP of 8.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-[4-(3-chloro-4-fluorophenoxy)phenyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methoxy-5-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 91209144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).