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

C16H10F2N4O4 — CID 7529267

IUPACN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C16H10F2N4O4/c17-16(18)25-12-6-5-9(7-13(12)26-16)19-14(23)8-22-15(24)10-3-1-2-4-11(10)20-21-22/h1-7H,8H2,(H,19,23)
InChIKeyPWUFGMRAYARHDG-UHFFFAOYSA-N
MW360.28 g/mol
LogP1.75
Rot. Bonds3

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

N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 7529267) has the molecular formula C16H10F2N4O4 and a molecular weight of 360.28 g/mol. Its IUPAC name is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID7529267
Molecular FormulaC16H10F2N4O4
Molecular Weight360.28 g/mol
Exact Mass360.07
IUPAC NameN-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C16H10F2N4O4/c17-16(18)25-12-6-5-9(7-13(12)26-16)19-14(23)8-22-15(24)10-3-1-2-4-11(10)20-21-22/h1-7H,8H2,(H,19,23)
InChIKeyPWUFGMRAYARHDG-UHFFFAOYSA-N
XLogP1.75
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27055170
N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934566
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459
N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2695518
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 16535624
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide
CID 26663224
N-(5-acetamido-2-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 55691997
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55474860

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 7529267) is N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is O=C(Cn1nnc2ccccc2c1=O)Nc1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is PWUFGMRAYARHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N4O4/c17-16(18)25-12-6-5-9(7-13(12)26-16)19-14(23)8-22-15(24)10-3-1-2-4-11(10)20-21-22/h1-7H,8H2,(H,19,23).
What are the key properties of N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 360.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 7529267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).