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

C22H17N5O2 — CID 1387078

IUPACN-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1nc(NC(=O)c2ccccc2)n(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C22H17N5O2/c28-19(16-10-4-1-5-11-16)23-21-25-22(24-20(29)17-12-6-2-7-13-17)27(26-21)18-14-8-3-9-15-18/h1-15H,(H2,23,24,25,26,28,29)
InChIKeyGFQQPQUENQSFFY-UHFFFAOYSA-N
MW383.41 g/mol
LogP3.77
Rot. Bonds5

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

N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide (PubChem CID 1387078) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide.

Molecular Properties

Compound NameN-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide
PubChem CID1387078
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC NameN-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide
SMILESO=C(Nc1nc(NC(=O)c2ccccc2)n(-c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C22H17N5O2/c28-19(16-10-4-1-5-11-16)23-21-25-22(24-20(29)17-12-6-2-7-13-17)27(26-21)18-14-8-3-9-15-18/h1-15H,(H2,23,24,25,26,28,29)
InChIKeyGFQQPQUENQSFFY-UHFFFAOYSA-N
XLogP3.77
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide?
The IUPAC name of N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide (CID 1387078) is N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide.
What is the SMILES notation for N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide?
The canonical SMILES for N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide is O=C(Nc1nc(NC(=O)c2ccccc2)n(-c2ccccc2)n1)c1ccccc1.
What is the InChIKey of N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide?
The InChIKey is GFQQPQUENQSFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c28-19(16-10-4-1-5-11-16)23-21-25-22(24-20(29)17-12-6-2-7-13-17)27(26-21)18-14-8-3-9-15-18/h1-15H,(H2,23,24,25,26,28,29).
What are the key properties of N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide?
N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide has a molecular weight of 383.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzamido-1-phenyl-1,2,4-triazol-3-yl)benzamide is sourced from PubChem (CID 1387078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).