N-[5-benzamido-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-fluorobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[1-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,4-triazol-3-yl]benzamide

C94H74F4N20O10 — CID 159219774

About N-[5-benzamido-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-fluorobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[1-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,4-triazol-3-yl]benzamide

N-[5-benzamido-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-fluorobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[1-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,4-triazol-3-yl]benzamide (PubChem CID 159219774) has the molecular formula C94H74F4N20O10 and a molecular weight of 1719.75 g/mol. Its IUPAC name is N-[5-benzamido-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-fluorobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[1-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[5-benzamido-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-fluorobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[1-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,4-triazol-3-yl]benzamide
• PubChem CID: 159219774
• Molecular Formula: C94H74F4N20O10
• Molecular Weight: 1719.75 g/mol
• Exact Mass: 1718.58
• IUPAC Name: N-[5-benzamido-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-fluorobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[1-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,4-triazol-3-yl]benzamide
• SMILES: COc1ccc(-n2nc(NC(=O)c3ccccc3)nc2NC(=O)c2ccccc2)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)/C=C/c2ccccc2)n(-c2ccccc2)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2F)n(-c2ccccc2)n1.O=C(Nc1nc(NC(=O)c2ccccc2)n(-c2ccc(OC(F)(F)F)cc2)n1)c1ccccc1
• InChI: InChI=1S/C25H21N5O2.C23H16F3N5O3.C23H18FN5O2.C23H19N5O3/c1-18-10-8-9-15-21(18)23(32)27-24-28-25(30(29-24)20-13-6-3-7-14-20)26-22(31)17-16-19-11-4-2-5-12-19;24-23(25,26)34-18-13-11-17(12-14-18)31-22(28-20(33)16-9-5-2-6-10-16)29-21(30-31)27-19(32)15-7-3-1-4-8-15;1-15-9-5-6-12-17(15)20(30)25-22-27-23(29(28-22)16-10-3-2-4-11-16)26-21(31)18-13-7-8-14-19(18)24;1-31-19-14-12-18(13-15-19)28-23(25-21(30)17-10-6-3-7-11-17)26-22(27-28)24-20(29)16-8-4-2-5-9-16/h2-17H,1H3,(H2,26,27,28,29,31,32);1-14H,(H2,27,28,29,30,32,33);2-14H,1H3,(H2,25,26,27,28,30,31);2-15H,1H3,(H2,24,25,26,27,29,30)/b17-16+
• InChIKey: KRNNZVCFFGRSOU-ISQLRVRESA-N
• XLogP: 17.15
• TPSA: 374.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1719.75
LogP ≤ 5	17.15
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-benzamido-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-fluorobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[1-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,4-triazol-3-yl]benzamide?

The IUPAC name of N-[5-benzamido-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-fluorobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[1-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,4-triazol-3-yl]benzamide (CID 159219774) is N-[5-benzamido-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-fluorobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[1-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,4-triazol-3-yl]benzamide.

What is the SMILES notation for N-[5-benzamido-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-fluorobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[1-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,4-triazol-3-yl]benzamide?

The canonical SMILES for N-[5-benzamido-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-fluorobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[1-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,4-triazol-3-yl]benzamide is COc1ccc(-n2nc(NC(=O)c3ccccc3)nc2NC(=O)c2ccccc2)cc1.Cc1ccccc1C(=O)Nc1nc(NC(=O)/C=C/c2ccccc2)n(-c2ccccc2)n1.Cc1ccccc1C(=O)Nc1nc(NC(=O)c2ccccc2F)n(-c2ccccc2)n1.O=C(Nc1nc(NC(=O)c2ccccc2)n(-c2ccc(OC(F)(F)F)cc2)n1)c1ccccc1.

What is the InChIKey of N-[5-benzamido-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-fluorobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[1-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,4-triazol-3-yl]benzamide?

The InChIKey is KRNNZVCFFGRSOU-ISQLRVRESA-N. The full InChI is InChI=1S/C25H21N5O2.C23H16F3N5O3.C23H18FN5O2.C23H19N5O3/c1-18-10-8-9-15-21(18)23(32)27-24-28-25(30(29-24)20-13-6-3-7-14-20)26-22(31)17-16-19-11-4-2-5-12-19;24-23(25,26)34-18-13-11-17(12-14-18)31-22(28-20(33)16-9-5-2-6-10-16)29-21(30-31)27-19(32)15-7-3-1-4-8-15;1-15-9-5-6-12-17(15)20(30)25-22-27-23(29(28-22)16-10-3-2-4-11-16)26-21(31)18-13-7-8-14-19(18)24;1-31-19-14-12-18(13-15-19)28-23(25-21(30)17-10-6-3-7-11-17)26-22(27-28)24-20(29)16-8-4-2-5-9-16/h2-17H,1H3,(H2,26,27,28,29,31,32);1-14H,(H2,27,28,29,30,32,33);2-14H,1H3,(H2,25,26,27,28,30,31);2-15H,1H3,(H2,24,25,26,27,29,30)/b17-16+;;;.

What are the key properties of N-[5-benzamido-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-fluorobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[1-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,4-triazol-3-yl]benzamide?

N-[5-benzamido-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-fluorobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[1-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 1719.75 g/mol, XLogP of 17.15, 23 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-benzamido-1-(4-methoxyphenyl)-1,2,4-triazol-3-yl]benzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[(2-fluorobenzoyl)amino]-1-phenyl-1,2,4-triazol-3-yl]-2-methylbenzamide;2-methyl-N-[1-phenyl-5-[[(E)-3-phenylprop-2-enoyl]amino]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 159219774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).