2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide

C21H13F3N4O2 — CID 86291550

IUPAC2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide
SMILESO=C(Nc1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O)C(F)(F)F
InChIInChI=1S/C21H13F3N4O2/c22-21(23,24)20(30)26-16-11-15-17(12-18(16)29)28(14-9-5-2-6-10-14)27-19(25-15)13-7-3-1-4-8-13/h1-12H,(H,26,30)
InChIKeyVIEYAFKAVDPPCT-UHFFFAOYSA-N
MW410.36 g/mol
LogP3.90
Rot. Bonds3

About 2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide

2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide (PubChem CID 86291550) has the molecular formula C21H13F3N4O2 and a molecular weight of 410.36 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide
PubChem CID86291550
Molecular FormulaC21H13F3N4O2
Molecular Weight410.36 g/mol
Exact Mass410.10
IUPAC Name2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide
SMILESO=C(Nc1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O)C(F)(F)F
InChIInChI=1S/C21H13F3N4O2/c22-21(23,24)20(30)26-16-11-15-17(12-18(16)29)28(14-9-5-2-6-10-14)27-19(25-15)13-7-3-1-4-8-13/h1-12H,(H,26,30)
InChIKeyVIEYAFKAVDPPCT-UHFFFAOYSA-N
XLogP3.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)pyridine-2-carbothioamide
CID 86291557
6-methoxy-1,3-diphenyl-1,2,4-benzotriazin-7-one
CID 53388862
N-[2-[[3-(4-bromophenyl)-1-phenylpyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 4985286
6-(4-benzylpiperazin-1-yl)-1,3-diphenyl-1,2,4-benzotriazin-7-one
CID 71462014
N-[2-[(1-benzoyl-4-phenylimidazol-2-yl)amino]phenyl]-2,2,2-trifluoroacetamide
CID 35138236
N-[2-[[1-benzoyl-3-(4-methylphenyl)pyrazol-5-yl]amino]phenyl]-2,2,2-trifluoroacetamide
CID 2366776
1,3,5-triphenylpyrazole
CID 626614
N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide
CID 17038226
5-[(1,3-diphenylpyrazol-5-yl)-difluoromethyl]-1,3-diphenylpyrazole
CID 12640730
2-cyano-N-[4-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide
CID 168524264
3-oxo-2-phenyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridazine-4-carboxylic acid
CID 138634201
1-[4-[(E)-2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]ethenyl]phenyl]-3,5-diphenyl-1,2,4-triazole
CID 89201714

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide (CID 86291550) is 2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide is O=C(Nc1cc2nc(-c3ccccc3)nn(-c3ccccc3)c-2cc1=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide?
The InChIKey is VIEYAFKAVDPPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N4O2/c22-21(23,24)20(30)26-16-11-15-17(12-18(16)29)28(14-9-5-2-6-10-14)27-19(25-15)13-7-3-1-4-8-13/h1-12H,(H,26,30).
What are the key properties of 2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide?
2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide has a molecular weight of 410.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(7-oxo-1,3-diphenyl-1,2,4-benzotriazin-6-yl)acetamide is sourced from PubChem (CID 86291550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).