N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide

C23H19N5O3 — CID 171350157

IUPACN-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(NC(=O)c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H19N5O3/c1-31-19-14-12-17(13-15-19)21(30)25-23-26-22(24-20(29)16-8-4-2-5-9-16)27-28(23)18-10-6-3-7-11-18/h2-15H,1H3,(H2,24,25,26,27,29,30)
InChIKeyMYEJFECSKROJSO-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.78
Rot. Bonds6

About N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide

N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide (PubChem CID 171350157) has the molecular formula C23H19N5O3 and a molecular weight of 413.44 g/mol. Its IUPAC name is N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide
PubChem CID171350157
Molecular FormulaC23H19N5O3
Molecular Weight413.44 g/mol
Exact Mass413.15
IUPAC NameN-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(NC(=O)c3ccccc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H19N5O3/c1-31-19-14-12-17(13-15-19)21(30)25-23-26-22(24-20(29)16-8-4-2-5-9-16)27-28(23)18-10-6-3-7-11-18/h2-15H,1H3,(H2,24,25,26,27,29,30)
InChIKeyMYEJFECSKROJSO-UHFFFAOYSA-N
XLogP3.78
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide?
The IUPAC name of N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide (CID 171350157) is N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide?
The canonical SMILES for N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide is COc1ccc(C(=O)Nc2nc(NC(=O)c3ccccc3)nn2-c2ccccc2)cc1.
What is the InChIKey of N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide?
The InChIKey is MYEJFECSKROJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O3/c1-31-19-14-12-17(13-15-19)21(30)25-23-26-22(24-20(29)16-8-4-2-5-9-16)27-28(23)18-10-6-3-7-11-18/h2-15H,1H3,(H2,24,25,26,27,29,30).
What are the key properties of N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide?
N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide has a molecular weight of 413.44 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzamido-2-phenyl-1,2,4-triazol-3-yl)-4-methoxybenzamide is sourced from PubChem (CID 171350157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).