N-[5-benzamido-1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide

C96H71F3N22O11 — CID 161172670

About N-[5-benzamido-1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide

N-[5-benzamido-1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide (PubChem CID 161172670) has the molecular formula C96H71F3N22O11 and a molecular weight of 1765.76 g/mol. Its IUPAC name is N-[5-benzamido-1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[5-benzamido-1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide
• PubChem CID: 161172670
• Molecular Formula: C96H71F3N22O11
• Molecular Weight: 1765.76 g/mol
• Exact Mass: 1764.56
• IUPAC Name: N-[5-benzamido-1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide
• SMILES: O=C(/C=C/c1ccccc1)Nc1nc(NC(=O)c2ccccc2)nn1-c1ccccn1.O=C(Nc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1)c1ccccc1.O=C(Nc1nc(NC(=O)c2ccccc2)n(-c2ccc(-c3ccccc3)cc2)n1)c1ccccc1.O=C(Nc1nc(NC(=O)c2ccccc2)n(-c2ccc(OC(F)(F)F)cc2)n1)c1ccccc1
• InChI: InChI=1S/C28H21N5O2.C23H16F3N5O3.C23H18N6O2.C22H16N6O4/c34-25(22-12-6-2-7-13-22)29-27-31-28(30-26(35)23-14-8-3-9-15-23)33(32-27)24-18-16-21(17-19-24)20-10-4-1-5-11-20;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;30-20(15-14-17-9-3-1-4-10-17)25-23-27-22(26-21(31)18-11-5-2-6-12-18)28-29(23)19-13-7-8-16-24-19;29-19(15-8-3-1-4-9-15)23-21-25-22(27(26-21)17-11-5-2-6-12-17)24-20(30)16-10-7-13-18(14-16)28(31)32/h1-19H,(H2,29,30,31,32,34,35);1-14H,(H2,27,28,29,30,32,33);1-16H,(H2,25,26,27,28,30,31);1-14H,(H2,23,24,25,26,29,30)/b;;15-14+
• InChIKey: VRVZPLIAYBOZLV-UBURETMFSA-N
• XLogP: 17.36
• TPSA: 420.90 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1765.76
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[5-benzamido-1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide (CID 161172670) is N-[5-benzamido-1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide.

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

The canonical SMILES for N-[5-benzamido-1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide is O=C(/C=C/c1ccccc1)Nc1nc(NC(=O)c2ccccc2)nn1-c1ccccn1.O=C(Nc1nc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1)c1ccccc1.O=C(Nc1nc(NC(=O)c2ccccc2)n(-c2ccc(-c3ccccc3)cc2)n1)c1ccccc1.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-phenylphenyl)-1,2,4-triazol-3-yl]benzamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide?

The InChIKey is VRVZPLIAYBOZLV-UBURETMFSA-N. The full InChI is InChI=1S/C28H21N5O2.C23H16F3N5O3.C23H18N6O2.C22H16N6O4/c34-25(22-12-6-2-7-13-22)29-27-31-28(30-26(35)23-14-8-3-9-15-23)33(32-27)24-18-16-21(17-19-24)20-10-4-1-5-11-20;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;30-20(15-14-17-9-3-1-4-10-17)25-23-27-22(26-21(31)18-11-5-2-6-12-18)28-29(23)19-13-7-8-16-24-19;29-19(15-8-3-1-4-9-15)23-21-25-22(27(26-21)17-11-5-2-6-12-17)24-20(30)16-10-7-13-18(14-16)28(31)32/h1-19H,(H2,29,30,31,32,34,35);1-14H,(H2,27,28,29,30,32,33);1-16H,(H2,25,26,27,28,30,31);1-14H,(H2,23,24,25,26,29,30)/b;;15-14+;.

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

N-[5-benzamido-1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide has a molecular weight of 1765.76 g/mol, XLogP of 17.36, 24 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-benzamido-1-(4-phenylphenyl)-1,2,4-triazol-3-yl]benzamide;N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-3-nitrobenzamide;N-[5-benzamido-1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide;N-[5-[[(E)-3-phenylprop-2-enoyl]amino]-1-pyridin-2-yl-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 161172670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).