2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C18H13F3N4O4 — CID 39890919

IUPAC2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc2cc3c(cc2c1=O)OCCO3)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F3N4O4/c19-18(20,21)11-3-1-2-4-12(11)22-16(26)9-25-17(27)10-7-14-15(29-6-5-28-14)8-13(10)23-24-25/h1-4,7-8H,5-6,9H2,(H,22,26)
InChIKeyQGXXLKXHVDFNFZ-UHFFFAOYSA-N
MW406.32 g/mol
LogP2.22
Rot. Bonds3

About 2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 39890919) has the molecular formula C18H13F3N4O4 and a molecular weight of 406.32 g/mol. Its IUPAC name is 2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID39890919
Molecular FormulaC18H13F3N4O4
Molecular Weight406.32 g/mol
Exact Mass406.09
IUPAC Name2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1nnc2cc3c(cc2c1=O)OCCO3)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H13F3N4O4/c19-18(20,21)11-3-1-2-4-12(11)22-16(26)9-25-17(27)10-7-14-15(29-6-5-28-14)8-13(10)23-24-25/h1-4,7-8H,5-6,9H2,(H,22,26)
InChIKeyQGXXLKXHVDFNFZ-UHFFFAOYSA-N
XLogP2.22
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24547614
N-cyclopentyl-2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)acetamide
CID 35758935
4-oxo-3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]phthalazine-1-carboxylate
CID 2379329
2-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 47077609
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55733182
2-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazin-3-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3227996
2-(1-oxo-4-thiomorpholin-4-ylphthalazin-2-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 53137099
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 5236251
2-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25475559
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 4906707
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 19517987
2-[3-(1,3-benzodioxol-5-ylmethyl)-2,4-dioxopyrido[2,3-d]pyrimidin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 18559906

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 39890919) is 2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cn1nnc2cc3c(cc2c1=O)OCCO3)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QGXXLKXHVDFNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O4/c19-18(20,21)11-3-1-2-4-12(11)22-16(26)9-25-17(27)10-7-14-15(29-6-5-28-14)8-13(10)23-24-25/h1-4,7-8H,5-6,9H2,(H,22,26).
What are the key properties of 2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 406.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 39890919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).