2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide

C17H15ClN4O — CID 834482

IUPAC2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c(C)c1
InChIInChI=1S/C17H15ClN4O/c1-11-3-6-16(12(2)7-11)21-17(23)14-8-13(4-5-15(14)18)22-9-19-20-10-22/h3-10H,1-2H3,(H,21,23)
InChIKeyKDVOQBAOOIYFSJ-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.79
Rot. Bonds3

About 2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide (PubChem CID 834482) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
PubChem CID834482
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c(C)c1
InChIInChI=1S/C17H15ClN4O/c1-11-3-6-16(12(2)7-11)21-17(23)14-8-13(4-5-15(14)18)22-9-19-20-10-22/h3-10H,1-2H3,(H,21,23)
InChIKeyKDVOQBAOOIYFSJ-UHFFFAOYSA-N
XLogP3.79
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide (CID 834482) is 2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide is Cc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c(C)c1.
What is the InChIKey of 2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is KDVOQBAOOIYFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-11-3-6-16(12(2)7-11)21-17(23)14-8-13(4-5-15(14)18)22-9-19-20-10-22/h3-10H,1-2H3,(H,21,23).
What are the key properties of 2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 326.79 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4-dimethylphenyl)-5-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 834482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).