2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide

C17H15ClN4O — CID 53168881

IUPAC2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide
SMILESO=C(Cc1n[nH]c(Cc2ccccc2)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O/c18-13-6-8-14(9-7-13)19-17(23)11-16-20-15(21-22-16)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,23)(H,20,21,22)
InChIKeyVCZSAIJFIVAIBB-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.23
Rot. Bonds5

About 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide

2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide (PubChem CID 53168881) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide
PubChem CID53168881
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC Name2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide
SMILESO=C(Cc1n[nH]c(Cc2ccccc2)n1)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O/c18-13-6-8-14(9-7-13)19-17(23)11-16-20-15(21-22-16)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,23)(H,20,21,22)
InChIKeyVCZSAIJFIVAIBB-UHFFFAOYSA-N
XLogP3.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(3,5-difluorophenyl)acetamide
CID 53168947
2-[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
CID 53168934
N-(4-methoxyphenyl)-2-[5-[(4-methylphenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 53168785
N-[4-(4-chloroanilino)phenyl]-2-phenylacetamide
CID 112987026
[5-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-3-yl]methanol
CID 79600627
2-(2-benzylphenoxy)-N-(4-chlorophenyl)acetamide
CID 7900618
N-benzyl-2-[5-[(4-methylanilino)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 43831805
N-[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]-2-phenylacetamide
CID 3013306
5-benzyl-3-(4-chlorophenyl)-1H-1,2,4-triazole
CID 912792
N-[3-[(4-chlorophenyl)carbamoylamino]phenyl]-2-phenylacetamide
CID 17235520
N-(2,3-dimethylphenyl)-2-[5-[(2-fluorophenyl)methyl]-1H-1,2,4-triazol-3-yl]acetamide
CID 53168975
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide (CID 53168881) is 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide is O=C(Cc1n[nH]c(Cc2ccccc2)n1)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide?
The InChIKey is VCZSAIJFIVAIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-13-6-8-14(9-7-13)19-17(23)11-16-20-15(21-22-16)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,23)(H,20,21,22).
What are the key properties of 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide?
2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide has a molecular weight of 326.79 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-1H-1,2,4-triazol-3-yl)-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 53168881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).