N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide

C15H14N4O2 — CID 138115403

IUPACN-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C15H14N4O2/c1-10-4-2-3-5-14(10)21-9-15(20)16-11-6-7-12-13(8-11)18-19-17-12/h2-8H,9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyVIBQPIOMWNLUQT-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.28
Rot. Bonds4

About N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide

N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide (PubChem CID 138115403) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
PubChem CID138115403
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC NameN-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)Nc1ccc2n[nH]nc2c1
InChIInChI=1S/C15H14N4O2/c1-10-4-2-3-5-14(10)21-9-15(20)16-11-6-7-12-13(8-11)18-19-17-12/h2-8H,9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyVIBQPIOMWNLUQT-UHFFFAOYSA-N
XLogP2.28
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide (CID 138115403) is N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)Nc1ccc2n[nH]nc2c1.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide?
The InChIKey is VIBQPIOMWNLUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-4-2-3-5-14(10)21-9-15(20)16-11-6-7-12-13(8-11)18-19-17-12/h2-8H,9H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide?
N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide has a molecular weight of 282.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 138115403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).