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

C98H95ClN20O7 — CID 159645454

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

N-[5-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide (PubChem CID 159645454) has the molecular formula C98H95ClN20O7 and a molecular weight of 1700.42 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[5-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide
• PubChem CID: 159645454
• Molecular Formula: C98H95ClN20O7
• Molecular Weight: 1700.42 g/mol
• Exact Mass: 1698.74
• IUPAC Name: N-[5-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide
• SMILES: COc1ccc(-n2nc(NCc3ccccc3Cl)nc2NC(=O)c2ccccc2C)cc1.COc1ccc(-n2nc(N[C@@H](C)c3ccccc3)nc2NC(=O)c2ccccc2C)cc1.COc1ccc(-n2nc(N[C@H](C)c3ccccc3)nc2NC(=O)c2ccccc2C)cc1.Cc1ccccc1C(=O)Nc1nc(N[C@@H](C)c2ccccc2)nn1-c1ccccc1
• InChI: InChI=1S/2C25H25N5O2.C24H22ClN5O2.C24H23N5O/c2*1-17-9-7-8-12-22(17)23(31)27-25-28-24(26-18(2)19-10-5-4-6-11-19)29-30(25)20-13-15-21(32-3)16-14-20;1-16-7-3-5-9-20(16)22(31)27-24-28-23(26-15-17-8-4-6-10-21(17)25)29-30(24)18-11-13-19(32-2)14-12-18;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/h2*4-16,18H,1-3H3,(H2,26,27,28,29,31);3-14H,15H2,1-2H3,(H2,26,27,28,29,31);3-16,18H,1-2H3,(H2,25,26,27,28,30)/t2*18-;;18-/m10.0/s1
• InChIKey: MQXAHYZEMDSZAE-VIMBJAPCSA-N
• XLogP: 20.12
• TPSA: 315.05 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1700.42
LogP ≤ 5	20.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of N-[5-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide (CID 159645454) is N-[5-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide.

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

The canonical SMILES for N-[5-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide is COc1ccc(-n2nc(NCc3ccccc3Cl)nc2NC(=O)c2ccccc2C)cc1.COc1ccc(-n2nc(N[C@@H](C)c3ccccc3)nc2NC(=O)c2ccccc2C)cc1.COc1ccc(-n2nc(N[C@H](C)c3ccccc3)nc2NC(=O)c2ccccc2C)cc1.Cc1ccccc1C(=O)Nc1nc(N[C@@H](C)c2ccccc2)nn1-c1ccccc1.

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

The InChIKey is MQXAHYZEMDSZAE-VIMBJAPCSA-N. The full InChI is InChI=1S/2C25H25N5O2.C24H22ClN5O2.C24H23N5O/c2*1-17-9-7-8-12-22(17)23(31)27-25-28-24(26-18(2)19-10-5-4-6-11-19)29-30(25)20-13-15-21(32-3)16-14-20;1-16-7-3-5-9-20(16)22(31)27-24-28-23(26-15-17-8-4-6-10-21(17)25)29-30(24)18-11-13-19(32-2)14-12-18;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/h2*4-16,18H,1-3H3,(H2,26,27,28,29,31);3-14H,15H2,1-2H3,(H2,26,27,28,29,31);3-16,18H,1-2H3,(H2,25,26,27,28,30)/t2*18-;;18-/m10.0/s1.

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

N-[5-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 1700.42 g/mol, XLogP of 20.12, 27 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2-chlorophenyl)methylamino]-2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;N-[2-(4-methoxyphenyl)-5-[[(1R)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[2-phenyl-5-[[(1S)-1-phenylethyl]amino]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 159645454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).