N-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

C16H14N4O2 — CID 24615837

IUPACN-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C16H14N4O2/c21-15-4-2-1-3-14(15)19-16(22)13-7-5-12(6-8-13)9-20-11-17-10-18-20/h1-8,10-11,21H,9H2,(H,19,22)
InChIKeyXQXASBWLUPZZJA-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.28
Rot. Bonds4

About N-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 24615837) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID24615837
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1O)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C16H14N4O2/c21-15-4-2-1-3-14(15)19-16(22)13-7-5-12(6-8-13)9-20-11-17-10-18-20/h1-8,10-11,21H,9H2,(H,19,22)
InChIKeyXQXASBWLUPZZJA-UHFFFAOYSA-N
XLogP2.28
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)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-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 24615837) is N-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is O=C(Nc1ccccc1O)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is XQXASBWLUPZZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c21-15-4-2-1-3-14(15)19-16(22)13-7-5-12(6-8-13)9-20-11-17-10-18-20/h1-8,10-11,21H,9H2,(H,19,22).
What are the key properties of N-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 294.31 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 24615837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).