2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide

C15H14N4O — CID 121399266

IUPAC2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide
SMILESCc1ccc2nn(C(C(N)=O)c3ccccc3)nc2c1
InChIInChI=1S/C15H14N4O/c1-10-7-8-12-13(9-10)18-19(17-12)14(15(16)20)11-5-3-2-4-6-11/h2-9,14H,1H3,(H2,16,20)
InChIKeyILQRXNICZWBYIK-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.81
Rot. Bonds3

About 2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide

2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide (PubChem CID 121399266) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide
PubChem CID121399266
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide
SMILESCc1ccc2nn(C(C(N)=O)c3ccccc3)nc2c1
InChIInChI=1S/C15H14N4O/c1-10-7-8-12-13(9-10)18-19(17-12)14(15(16)20)11-5-3-2-4-6-11/h2-9,14H,1H3,(H2,16,20)
InChIKeyILQRXNICZWBYIK-UHFFFAOYSA-N
XLogP1.81
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide?
The IUPAC name of 2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide (CID 121399266) is 2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide.
What is the SMILES notation for 2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide?
The canonical SMILES for 2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide is Cc1ccc2nn(C(C(N)=O)c3ccccc3)nc2c1.
What is the InChIKey of 2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide?
The InChIKey is ILQRXNICZWBYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-7-8-12-13(9-10)18-19(17-12)14(15(16)20)11-5-3-2-4-6-11/h2-9,14H,1H3,(H2,16,20).
What are the key properties of 2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide?
2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide has a molecular weight of 266.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylbenzotriazol-2-yl)-2-phenylacetamide is sourced from PubChem (CID 121399266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).