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

C17H15ClN4O — CID 6459313

IUPAC2-chloro-N-(4-ethylphenyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(-n3cnnc3)cc2Cl)cc1
InChIInChI=1S/C17H15ClN4O/c1-2-12-3-5-13(6-4-12)21-17(23)15-8-7-14(9-16(15)18)22-10-19-20-11-22/h3-11H,2H2,1H3,(H,21,23)
InChIKeyHRIHURWTNFYSTC-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.74
Rot. Bonds4

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

2-chloro-N-(4-ethylphenyl)-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 6459313) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 2-chloro-N-(4-ethylphenyl)-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethylphenyl)-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID6459313
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name2-chloro-N-(4-ethylphenyl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESCCc1ccc(NC(=O)c2ccc(-n3cnnc3)cc2Cl)cc1
InChIInChI=1S/C17H15ClN4O/c1-2-12-3-5-13(6-4-12)21-17(23)15-8-7-14(9-16(15)18)22-10-19-20-11-22/h3-11H,2H2,1H3,(H,21,23)
InChIKeyHRIHURWTNFYSTC-UHFFFAOYSA-N
XLogP3.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethylphenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(4-ethylphenyl)-4-(1,2,4-triazol-4-yl)benzamide (CID 6459313) is 2-chloro-N-(4-ethylphenyl)-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-ethylphenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(4-ethylphenyl)-4-(1,2,4-triazol-4-yl)benzamide is CCc1ccc(NC(=O)c2ccc(-n3cnnc3)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-(4-ethylphenyl)-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is HRIHURWTNFYSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-2-12-3-5-13(6-4-12)21-17(23)15-8-7-14(9-16(15)18)22-10-19-20-11-22/h3-11H,2H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-(4-ethylphenyl)-4-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-(4-ethylphenyl)-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 326.79 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethylphenyl)-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 6459313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).