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

C15H10F2N4O2 — CID 27055170

IUPACN-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H10F2N4O2/c16-9-5-10(17)7-11(6-9)18-14(22)8-21-15(23)12-3-1-2-4-13(12)19-20-21/h1-7H,8H2,(H,18,22)
InChIKeyIKBFJVMGSWDZOD-UHFFFAOYSA-N
MW316.27 g/mol
LogP1.71
Rot. Bonds3

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

N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (PubChem CID 27055170) has the molecular formula C15H10F2N4O2 and a molecular weight of 316.27 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
PubChem CID27055170
Molecular FormulaC15H10F2N4O2
Molecular Weight316.27 g/mol
Exact Mass316.08
IUPAC NameN-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1cc(F)cc(F)c1
InChIInChI=1S/C15H10F2N4O2/c16-9-5-10(17)7-11(6-9)18-14(22)8-21-15(23)12-3-1-2-4-13(12)19-20-21/h1-7H,8H2,(H,18,22)
InChIKeyIKBFJVMGSWDZOD-UHFFFAOYSA-N
XLogP1.71
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780
N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934566
N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2695518
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7529267
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
N-(3,4-difluorophenyl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]acetamide
CID 26663224
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
N-(3-chloro-4-methylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2550571
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55474860
N-(2,6-dichlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2714538

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide (CID 27055170) is N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is O=C(Cn1nnc2ccccc2c1=O)Nc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
The InChIKey is IKBFJVMGSWDZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N4O2/c16-9-5-10(17)7-11(6-9)18-14(22)8-21-15(23)12-3-1-2-4-13(12)19-20-21/h1-7H,8H2,(H,18,22).
What are the key properties of N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide?
N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide has a molecular weight of 316.27 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide is sourced from PubChem (CID 27055170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).