N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide

C15H11ClN4O — CID 944669

IUPACN-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccccc1
InChIInChI=1S/C15H11ClN4O/c16-12-8-6-10(7-9-12)13-17-15(20-19-13)18-14(21)11-4-2-1-3-5-11/h1-9H,(H2,17,18,19,20,21)
InChIKeyNWQCMCFGHNCJGK-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.38
Rot. Bonds3

About N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide

N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide (PubChem CID 944669) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
PubChem CID944669
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC NameN-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide
SMILESO=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccccc1
InChIInChI=1S/C15H11ClN4O/c16-12-8-6-10(7-9-12)13-17-15(20-19-13)18-14(21)11-4-2-1-3-5-11/h1-9H,(H2,17,18,19,20,21)
InChIKeyNWQCMCFGHNCJGK-UHFFFAOYSA-N
XLogP3.38
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(4-chlorophenyl)-1H-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-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide (CID 944669) is N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide is O=C(Nc1n[nH]c(-c2ccc(Cl)cc2)n1)c1ccccc1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide?
The InChIKey is NWQCMCFGHNCJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-12-8-6-10(7-9-12)13-17-15(20-19-13)18-14(21)11-4-2-1-3-5-11/h1-9H,(H2,17,18,19,20,21).
What are the key properties of N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide?
N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide has a molecular weight of 298.73 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 944669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).