N-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C18H16N4O2 — CID 39333895

IUPACN-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NC1Cc2ccccc2C1
InChIInChI=1S/C18H16N4O2/c23-17(19-14-9-12-5-1-2-6-13(12)10-14)11-22-18(24)15-7-3-4-8-16(15)20-21-22/h1-8,14H,9-11H2,(H,19,23)
InChIKeyWDGONOGWBLLRJB-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.08
Rot. Bonds3

About N-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 39333895) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID39333895
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)NC1Cc2ccccc2C1
InChIInChI=1S/C18H16N4O2/c23-17(19-14-9-12-5-1-2-6-13(12)10-14)11-22-18(24)15-7-3-4-8-16(15)20-21-22/h1-8,14H,9-11H2,(H,19,23)
InChIKeyWDGONOGWBLLRJB-UHFFFAOYSA-N
XLogP1.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 39333895) is N-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is O=C(Cn1nnc2ccccc2c1=O)NC1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is WDGONOGWBLLRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-17(19-14-9-12-5-1-2-6-13(12)10-14)11-22-18(24)15-7-3-4-8-16(15)20-21-22/h1-8,14H,9-11H2,(H,19,23).
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 320.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 39333895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).