2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide

C17H16N4O — CID 1254226

IUPAC2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccccc1CCc1ccccc1
InChIInChI=1S/C17H16N4O/c22-17(20-21-12-18-19-13-21)16-9-5-4-8-15(16)11-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,20,22)
InChIKeyNJDHORNTVNJURI-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.45
Rot. Bonds5

About 2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide

2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide (PubChem CID 1254226) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide
PubChem CID1254226
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide
SMILESO=C(Nn1cnnc1)c1ccccc1CCc1ccccc1
InChIInChI=1S/C17H16N4O/c22-17(20-21-12-18-19-13-21)16-9-5-4-8-15(16)11-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,20,22)
InChIKeyNJDHORNTVNJURI-UHFFFAOYSA-N
XLogP2.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide (CID 1254226) is 2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide is O=C(Nn1cnnc1)c1ccccc1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is NJDHORNTVNJURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c22-17(20-21-12-18-19-13-21)16-9-5-4-8-15(16)11-10-14-6-2-1-3-7-14/h1-9,12-13H,10-11H2,(H,20,22).
What are the key properties of 2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide?
2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 292.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-N-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 1254226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).