N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide

C15H14N4O — CID 738198

IUPACN-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
SMILESCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C
InChIInChI=1S/C15H14N4O/c1-10-8-14-15(9-13(10)16-11(2)20)18-19(17-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,20)
InChIKeyQUSJUYGHRCPKQJ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.69
Rot. Bonds2

About N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide

N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide (PubChem CID 738198) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
PubChem CID738198
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC NameN-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide
SMILESCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C
InChIInChI=1S/C15H14N4O/c1-10-8-14-15(9-13(10)16-11(2)20)18-19(17-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,20)
InChIKeyQUSJUYGHRCPKQJ-UHFFFAOYSA-N
XLogP2.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide?
The IUPAC name of N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide (CID 738198) is N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide.
What is the SMILES notation for N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide?
The canonical SMILES for N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide is CC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C.
What is the InChIKey of N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide?
The InChIKey is QUSJUYGHRCPKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-10-8-14-15(9-13(10)16-11(2)20)18-19(17-14)12-6-4-3-5-7-12/h3-9H,1-2H3,(H,16,20).
What are the key properties of N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide?
N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-phenylbenzotriazol-5-yl)acetamide is sourced from PubChem (CID 738198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).