N-[5-(benzylamino)-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-chlorophenyl)-5-(2-phenylethylamino)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide

C97H86Cl2F6N20O8 — CID 159725678

About N-[5-(benzylamino)-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-chlorophenyl)-5-(2-phenylethylamino)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide

N-[5-(benzylamino)-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-chlorophenyl)-5-(2-phenylethylamino)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide (PubChem CID 159725678) has the molecular formula C97H86Cl2F6N20O8 and a molecular weight of 1844.78 g/mol. Its IUPAC name is N-[5-(benzylamino)-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-chlorophenyl)-5-(2-phenylethylamino)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[5-(benzylamino)-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-chlorophenyl)-5-(2-phenylethylamino)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide
• PubChem CID: 159725678
• Molecular Formula: C97H86Cl2F6N20O8
• Molecular Weight: 1844.78 g/mol
• Exact Mass: 1842.62
• IUPAC Name: N-[5-(benzylamino)-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-chlorophenyl)-5-(2-phenylethylamino)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide
• SMILES: COc1ccc(CNc2nc(NC(=O)c3ccccc3C)n(-c3ccc(OC(F)(F)F)cc3)n2)cc1.COc1cccc(CNc2nc(NC(=O)c3ccccc3C)n(-c3ccc(OC(F)(F)F)cc3)n2)c1.Cc1ccccc1C(=O)Nc1nc(NCCc2ccccc2)nn1-c1ccc(Cl)cc1.Cc1ccccc1C(=O)Nc1nc(NCc2ccccc2)nn1-c1ccc(Cl)cc1
• InChI: InChI=1S/2C25H22F3N5O3.C24H22ClN5O.C23H20ClN5O/c1-16-6-3-4-9-21(16)22(34)30-24-31-23(29-15-17-7-5-8-20(14-17)35-2)32-33(24)18-10-12-19(13-11-18)36-25(26,27)28;1-16-5-3-4-6-21(16)22(34)30-24-31-23(29-15-17-7-11-19(35-2)12-8-17)32-33(24)18-9-13-20(14-10-18)36-25(26,27)28;1-17-7-5-6-10-21(17)22(31)27-24-28-23(26-16-15-18-8-3-2-4-9-18)29-30(24)20-13-11-19(25)12-14-20;1-16-7-5-6-10-20(16)21(30)26-23-27-22(25-15-17-8-3-2-4-9-17)28-29(23)19-13-11-18(24)12-14-19/h2*3-14H,15H2,1-2H3,(H2,29,30,31,32,34);2-14H,15-16H2,1H3,(H2,26,27,28,29,31);2-14H,15H2,1H3,(H2,25,26,27,28,30)
• InChIKey: NAPGDLTWKDOVJZ-UHFFFAOYSA-N
• XLogP: 20.92
• TPSA: 324.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 29
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1844.78
LogP ≤ 5	20.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzylamino)-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-chlorophenyl)-5-(2-phenylethylamino)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide?

The IUPAC name of N-[5-(benzylamino)-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-chlorophenyl)-5-(2-phenylethylamino)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide (CID 159725678) is N-[5-(benzylamino)-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-chlorophenyl)-5-(2-phenylethylamino)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide.

What is the SMILES notation for N-[5-(benzylamino)-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-chlorophenyl)-5-(2-phenylethylamino)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide?

The canonical SMILES for N-[5-(benzylamino)-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-chlorophenyl)-5-(2-phenylethylamino)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide is COc1ccc(CNc2nc(NC(=O)c3ccccc3C)n(-c3ccc(OC(F)(F)F)cc3)n2)cc1.COc1cccc(CNc2nc(NC(=O)c3ccccc3C)n(-c3ccc(OC(F)(F)F)cc3)n2)c1.Cc1ccccc1C(=O)Nc1nc(NCCc2ccccc2)nn1-c1ccc(Cl)cc1.Cc1ccccc1C(=O)Nc1nc(NCc2ccccc2)nn1-c1ccc(Cl)cc1.

What is the InChIKey of N-[5-(benzylamino)-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-chlorophenyl)-5-(2-phenylethylamino)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide?

The InChIKey is NAPGDLTWKDOVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H22F3N5O3.C24H22ClN5O.C23H20ClN5O/c1-16-6-3-4-9-21(16)22(34)30-24-31-23(29-15-17-7-5-8-20(14-17)35-2)32-33(24)18-10-12-19(13-11-18)36-25(26,27)28;1-16-5-3-4-6-21(16)22(34)30-24-31-23(29-15-17-7-11-19(35-2)12-8-17)32-33(24)18-9-13-20(14-10-18)36-25(26,27)28;1-17-7-5-6-10-21(17)22(31)27-24-28-23(26-16-15-18-8-3-2-4-9-18)29-30(24)20-13-11-19(25)12-14-20;1-16-7-5-6-10-20(16)21(30)26-23-27-22(25-15-17-8-3-2-4-9-17)28-29(23)19-13-11-18(24)12-14-19/h2*3-14H,15H2,1-2H3,(H2,29,30,31,32,34);2-14H,15-16H2,1H3,(H2,26,27,28,29,31);2-14H,15H2,1H3,(H2,25,26,27,28,30).

What are the key properties of N-[5-(benzylamino)-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-chlorophenyl)-5-(2-phenylethylamino)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide?

N-[5-(benzylamino)-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-chlorophenyl)-5-(2-phenylethylamino)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide has a molecular weight of 1844.78 g/mol, XLogP of 20.92, 29 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(benzylamino)-2-(4-chlorophenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-chlorophenyl)-5-(2-phenylethylamino)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(3-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 159725678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).