N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide

C17H14N4O2 — CID 122140618

IUPACN-(2-acetylphenyl)-2-(triazol-1-yl)benzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccccc1-n1ccnn1
InChIInChI=1S/C17H14N4O2/c1-12(22)13-6-2-4-8-15(13)19-17(23)14-7-3-5-9-16(14)21-11-10-18-20-21/h2-11H,1H3,(H,19,23)
InChIKeyYWJSEGHOEUNSME-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.72
Rot. Bonds4

About N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide

N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide (PubChem CID 122140618) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-(triazol-1-yl)benzamide
PubChem CID122140618
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC NameN-(2-acetylphenyl)-2-(triazol-1-yl)benzamide
SMILESCC(=O)c1ccccc1NC(=O)c1ccccc1-n1ccnn1
InChIInChI=1S/C17H14N4O2/c1-12(22)13-6-2-4-8-15(13)19-17(23)14-7-3-5-9-16(14)21-11-10-18-20-21/h2-11H,1H3,(H,19,23)
InChIKeyYWJSEGHOEUNSME-UHFFFAOYSA-N
XLogP2.72
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide?
The IUPAC name of N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide (CID 122140618) is N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide?
The canonical SMILES for N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide is CC(=O)c1ccccc1NC(=O)c1ccccc1-n1ccnn1.
What is the InChIKey of N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide?
The InChIKey is YWJSEGHOEUNSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-12(22)13-6-2-4-8-15(13)19-17(23)14-7-3-5-9-16(14)21-11-10-18-20-21/h2-11H,1H3,(H,19,23).
What are the key properties of N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide?
N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide has a molecular weight of 306.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-(triazol-1-yl)benzamide is sourced from PubChem (CID 122140618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).