3-chloro-2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-N-(2-fluorocyclopropyl)benzamide

C24H19Cl2F4N7O3 — CID 152582075

About 3-chloro-2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-N-(2-fluorocyclopropyl)benzamide

3-chloro-2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-N-(2-fluorocyclopropyl)benzamide (PubChem CID 152582075) has the molecular formula C24H19Cl2F4N7O3 and a molecular weight of 600.36 g/mol. Its IUPAC name is 3-chloro-2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-N-(2-fluorocyclopropyl)benzamide.

Molecular Properties

• Compound Name: 3-chloro-2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-N-(2-fluorocyclopropyl)benzamide
• PubChem CID: 152582075
• Molecular Formula: C24H19Cl2F4N7O3
• Molecular Weight: 600.36 g/mol
• Exact Mass: 599.09
• IUPAC Name: 3-chloro-2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-N-(2-fluorocyclopropyl)benzamide
• SMILES: O=C(NC1CC1F)c1cccc(Cl)c1-n1cnc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@@H](O)C(F)(F)F)c2=O)n1
• InChI: InChI=1S/C24H19Cl2F4N7O3/c25-13-6-4-12(5-7-13)21-34-36(23(40)35(21)9-18(38)24(28,29)30)10-19-31-11-37(33-19)20-14(2-1-3-15(20)26)22(39)32-17-8-16(17)27/h1-7,11,16-18,38H,8-10H2,(H,32,39)/t16?,17?,18-/m1/s1
• InChIKey: YTRPDUPOWVAMLI-DAWZGUTISA-N
• XLogP: 3.41
• TPSA: 119.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.36
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-N-(2-fluorocyclopropyl)benzamide?

The IUPAC name of 3-chloro-2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-N-(2-fluorocyclopropyl)benzamide (CID 152582075) is 3-chloro-2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-N-(2-fluorocyclopropyl)benzamide.

What is the SMILES notation for 3-chloro-2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-N-(2-fluorocyclopropyl)benzamide?

The canonical SMILES for 3-chloro-2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-N-(2-fluorocyclopropyl)benzamide is O=C(NC1CC1F)c1cccc(Cl)c1-n1cnc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@@H](O)C(F)(F)F)c2=O)n1.

What is the InChIKey of 3-chloro-2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-N-(2-fluorocyclopropyl)benzamide?

The InChIKey is YTRPDUPOWVAMLI-DAWZGUTISA-N. The full InChI is InChI=1S/C24H19Cl2F4N7O3/c25-13-6-4-12(5-7-13)21-34-36(23(40)35(21)9-18(38)24(28,29)30)10-19-31-11-37(33-19)20-14(2-1-3-15(20)26)22(39)32-17-8-16(17)27/h1-7,11,16-18,38H,8-10H2,(H,32,39)/t16?,17?,18-/m1/s1.

What are the key properties of 3-chloro-2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-N-(2-fluorocyclopropyl)benzamide?

3-chloro-2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-N-(2-fluorocyclopropyl)benzamide has a molecular weight of 600.36 g/mol, XLogP of 3.41, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-2-[3-[[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]methyl]-1,2,4-triazol-1-yl]-N-(2-fluorocyclopropyl)benzamide is sourced from PubChem (CID 152582075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).