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-cyclopropylbenzamide

C24H20Cl2F3N7O3 — CID 142564558

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-cyclopropylbenzamide

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-cyclopropylbenzamide (PubChem CID 142564558) has the molecular formula C24H20Cl2F3N7O3 and a molecular weight of 582.37 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-cyclopropylbenzamide.

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-cyclopropylbenzamide
• PubChem CID: 142564558
• Molecular Formula: C24H20Cl2F3N7O3
• Molecular Weight: 582.37 g/mol
• Exact Mass: 581.10
• 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-cyclopropylbenzamide
• SMILES: O=C(NC1CC1)c1cccc(Cl)c1-n1cnc(Cn2nc(-c3ccc(Cl)cc3)n(C[C@@H](O)C(F)(F)F)c2=O)n1
• InChI: InChI=1S/C24H20Cl2F3N7O3/c25-14-6-4-13(5-7-14)21-33-35(23(39)34(21)10-18(37)24(27,28)29)11-19-30-12-36(32-19)20-16(2-1-3-17(20)26)22(38)31-15-8-9-15/h1-7,12,15,18,37H,8-11H2,(H,31,38)/t18-/m1/s1
• InChIKey: XWWINYXHRYGSET-GOSISDBHSA-N
• XLogP: 3.46
• TPSA: 119.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	582.37
LogP ≤ 5	3.46
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-cyclopropylbenzamide?

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-cyclopropylbenzamide (CID 142564558) 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-cyclopropylbenzamide.

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-cyclopropylbenzamide?

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-cyclopropylbenzamide is O=C(NC1CC1)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-cyclopropylbenzamide?

The InChIKey is XWWINYXHRYGSET-GOSISDBHSA-N. The full InChI is InChI=1S/C24H20Cl2F3N7O3/c25-14-6-4-13(5-7-14)21-33-35(23(39)34(21)10-18(37)24(27,28)29)11-19-30-12-36(32-19)20-16(2-1-3-17(20)26)22(38)31-15-8-9-15/h1-7,12,15,18,37H,8-11H2,(H,31,38)/t18-/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-cyclopropylbenzamide?

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-cyclopropylbenzamide has a molecular weight of 582.37 g/mol, XLogP of 3.46, 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-cyclopropylbenzamide is sourced from PubChem (CID 142564558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).