2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide

C15H14N4O — CID 863021

IUPAC2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nnc3ccccc32)c1
InChIInChI=1S/C15H14N4O/c1-11-5-4-6-12(9-11)16-15(20)10-19-14-8-3-2-7-13(14)17-18-19/h2-9H,10H2,1H3,(H,16,20)
InChIKeyGCADHEHQOHYNNR-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.38
Rot. Bonds3

About 2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide

2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide (PubChem CID 863021) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide
PubChem CID863021
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide
SMILESCc1cccc(NC(=O)Cn2nnc3ccccc32)c1
InChIInChI=1S/C15H14N4O/c1-11-5-4-6-12(9-11)16-15(20)10-19-14-8-3-2-7-13(14)17-18-19/h2-9H,10H2,1H3,(H,16,20)
InChIKeyGCADHEHQOHYNNR-UHFFFAOYSA-N
XLogP2.38
TPSA59.81 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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide (CID 863021) is 2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide is Cc1cccc(NC(=O)Cn2nnc3ccccc32)c1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide?
The InChIKey is GCADHEHQOHYNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-5-4-6-12(9-11)16-15(20)10-19-14-8-3-2-7-13(14)17-18-19/h2-9H,10H2,1H3,(H,16,20).
What are the key properties of 2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide?
2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 863021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).