2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

C17H13F3N4O3 — CID 55474860

IUPAC2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)10-27-12-7-5-11(6-8-12)21-15(25)9-24-16(26)13-3-1-2-4-14(13)22-23-24/h1-8H,9-10H2,(H,21,25)
InChIKeyBQHVTYHWZOQDFI-UHFFFAOYSA-N
MW378.31 g/mol
LogP2.37
Rot. Bonds5

About 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (PubChem CID 55474860) has the molecular formula C17H13F3N4O3 and a molecular weight of 378.31 g/mol. Its IUPAC name is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
PubChem CID55474860
Molecular FormulaC17H13F3N4O3
Molecular Weight378.31 g/mol
Exact Mass378.09
IUPAC Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C17H13F3N4O3/c18-17(19,20)10-27-12-7-5-11(6-8-12)21-15(25)9-24-16(26)13-3-1-2-4-14(13)22-23-24/h1-8H,9-10H2,(H,21,25)
InChIKeyBQHVTYHWZOQDFI-UHFFFAOYSA-N
XLogP2.37
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]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

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 55712251
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459
N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27055170
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934566
6-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(trifluoromethoxy)phenyl]hexanamide
CID 4909778
N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 78766557
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
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

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide (CID 55474860) is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
The InChIKey is BQHVTYHWZOQDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3/c18-17(19,20)10-27-12-7-5-11(6-8-12)21-15(25)9-24-16(26)13-3-1-2-4-14(13)22-23-24/h1-8H,9-10H2,(H,21,25).
What are the key properties of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide?
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide has a molecular weight of 378.31 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide is sourced from PubChem (CID 55474860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).