N-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

C17H16N4O2 — CID 2573775

IUPACN-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nnc3ccccc3c2=O)c1
InChIInChI=1S/C17H16N4O2/c1-11-7-12(2)9-13(8-11)18-16(22)10-21-17(23)14-5-3-4-6-15(14)19-20-21/h3-9H,10H2,1-2H3,(H,18,22)
InChIKeyIUNBILFDFLMKPF-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.05
Rot. Bonds3

About N-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

N-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 2573775) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID2573775
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2nnc3ccccc3c2=O)c1
InChIInChI=1S/C17H16N4O2/c1-11-7-12(2)9-13(8-11)18-16(22)10-21-17(23)14-5-3-4-6-15(14)19-20-21/h3-9H,10H2,1-2H3,(H,18,22)
InChIKeyIUNBILFDFLMKPF-UHFFFAOYSA-N
XLogP2.05
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 2573775) is N-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is Cc1cc(C)cc(NC(=O)Cn2nnc3ccccc3c2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is IUNBILFDFLMKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-7-12(2)9-13(8-11)18-16(22)10-21-17(23)14-5-3-4-6-15(14)19-20-21/h3-9H,10H2,1-2H3,(H,18,22).
What are the key properties of N-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 2573775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).