N-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C16H14N4O2 — CID 2490092

IUPACN-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C16H14N4O2/c1-11-6-8-12(9-7-11)17-15(21)10-20-16(22)13-4-2-3-5-14(13)18-19-20/h2-9H,10H2,1H3,(H,17,21)
InChIKeyFRHYKZMVNFEKCC-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.74
Rot. Bonds3

About N-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 2490092) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID2490092
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C16H14N4O2/c1-11-6-8-12(9-7-11)17-15(21)10-20-16(22)13-4-2-3-5-14(13)18-19-20/h2-9H,10H2,1H3,(H,17,21)
InChIKeyFRHYKZMVNFEKCC-UHFFFAOYSA-N
XLogP1.74
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 2490092) is N-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is Cc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is FRHYKZMVNFEKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-11-6-8-12(9-7-11)17-15(21)10-20-16(22)13-4-2-3-5-14(13)18-19-20/h2-9H,10H2,1H3,(H,17,21).
What are the key properties of N-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 294.31 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 2490092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).