N-[5-[(3-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-chlorophenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide

C97H86Cl2F6N20O8 — CID 158582094

About N-[5-[(3-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-chlorophenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide

N-[5-[(3-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-chlorophenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide (PubChem CID 158582094) has the molecular formula C97H86Cl2F6N20O8 and a molecular weight of 1844.78 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-chlorophenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[5-[(3-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-chlorophenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide
• PubChem CID: 158582094
• Molecular Formula: C97H86Cl2F6N20O8
• Molecular Weight: 1844.78 g/mol
• Exact Mass: 1842.62
• IUPAC Name: N-[5-[(3-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-chlorophenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide
• SMILES: COc1ccc(-n2nc(NCc3cccc(Cl)c3)nc2NC(=O)c2ccccc2C)cc1.COc1ccccc1CNc1nc(NC(=O)c2ccccc2C)n(-c2ccc(OC(F)(F)F)cc2)n1.Cc1ccccc1C(=O)Nc1nc(NCc2ccc(Cl)cc2)nn1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(N[C@H](C)c2ccccc2)nn1-c1ccccc1
• InChI: InChI=1S/C25H22F3N5O3.C24H19ClF3N5O2.C24H22ClN5O2.C24H23N5O/c1-16-7-3-5-9-20(16)22(34)30-24-31-23(29-15-17-8-4-6-10-21(17)35-2)32-33(24)18-11-13-19(14-12-18)36-25(26,27)28;1-15-4-2-3-5-20(15)21(34)30-23-31-22(29-14-16-6-8-17(25)9-7-16)32-33(23)18-10-12-19(13-11-18)35-24(26,27)28;1-16-6-3-4-9-21(16)22(31)27-24-28-23(26-15-17-7-5-8-18(25)14-17)29-30(24)19-10-12-20(32-2)13-11-19;1-17-11-9-10-16-21(17)22(30)26-24-27-23(25-18(2)19-12-5-3-6-13-19)28-29(24)20-14-7-4-8-15-20/h3-14H,15H2,1-2H3,(H2,29,30,31,32,34);2-13H,14H2,1H3,(H2,29,30,31,32,34);3-14H,15H2,1-2H3,(H2,26,27,28,29,31);3-16,18H,1-2H3,(H2,25,26,27,28,30)/t;;;18-/m...1/s1
• InChIKey: HTJKTICJQIIIBP-VQSBLDOUSA-N
• XLogP: 21.44
• TPSA: 324.28 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1844.78
LogP ≤ 5	21.44
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

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

The IUPAC name of N-[5-[(3-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-chlorophenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide (CID 158582094) is N-[5-[(3-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-chlorophenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide.

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

The canonical SMILES for N-[5-[(3-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-chlorophenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide is COc1ccc(-n2nc(NCc3cccc(Cl)c3)nc2NC(=O)c2ccccc2C)cc1.COc1ccccc1CNc1nc(NC(=O)c2ccccc2C)n(-c2ccc(OC(F)(F)F)cc2)n1.Cc1ccccc1C(=O)Nc1nc(NCc2ccc(Cl)cc2)nn1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(N[C@H](C)c2ccccc2)nn1-c1ccccc1.

What is the InChIKey of N-[5-[(3-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-chlorophenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide?

The InChIKey is HTJKTICJQIIIBP-VQSBLDOUSA-N. The full InChI is InChI=1S/C25H22F3N5O3.C24H19ClF3N5O2.C24H22ClN5O2.C24H23N5O/c1-16-7-3-5-9-20(16)22(34)30-24-31-23(29-15-17-8-4-6-10-21(17)35-2)32-33(24)18-11-13-19(14-12-18)36-25(26,27)28;1-15-4-2-3-5-20(15)21(34)30-23-31-22(29-14-16-6-8-17(25)9-7-16)32-33(23)18-10-12-19(13-11-18)35-24(26,27)28;1-16-6-3-4-9-21(16)22(31)27-24-28-23(26-15-17-7-5-8-18(25)14-17)29-30(24)19-10-12-20(32-2)13-11-19;1-17-11-9-10-16-21(17)22(30)26-24-27-23(25-18(2)19-12-5-3-6-13-19)28-29(24)20-14-7-4-8-15-20/h3-14H,15H2,1-2H3,(H2,29,30,31,32,34);2-13H,14H2,1H3,(H2,29,30,31,32,34);3-14H,15H2,1-2H3,(H2,26,27,28,29,31);3-16,18H,1-2H3,(H2,25,26,27,28,30)/t;;;18-/m...1/s1.

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

N-[5-[(3-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-chlorophenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 1844.78 g/mol, XLogP of 21.44, 28 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(3-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(4-chlorophenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[5-[(2-methoxyphenyl)methylamino]-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 158582094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).