N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C17H15ClN4O2 — CID 2695546

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O2/c18-13-7-5-12(6-8-13)9-10-19-16(23)11-22-17(24)14-3-1-2-4-15(14)20-21-22/h1-8H,9-11H2,(H,19,23)
InChIKeyGASJSONKGOIOOV-UHFFFAOYSA-N
MW342.79 g/mol
LogP1.80
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 2695546) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID2695546
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C17H15ClN4O2/c18-13-7-5-12(6-8-13)9-10-19-16(23)11-22-17(24)14-3-1-2-4-15(14)20-21-22/h1-8H,9-11H2,(H,19,23)
InChIKeyGASJSONKGOIOOV-UHFFFAOYSA-N
XLogP1.80
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 2695546) is N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is O=C(Cn1nnc2ccccc2c1=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is GASJSONKGOIOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c18-13-7-5-12(6-8-13)9-10-19-16(23)11-22-17(24)14-3-1-2-4-15(14)20-21-22/h1-8H,9-11H2,(H,19,23).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 342.79 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 2695546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).