2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide

C18H15F3N4O2 — CID 4906707

IUPAC2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccccc1C(F)(F)F)n1nnc2ccccc2c1=O
InChIInChI=1S/C18H15F3N4O2/c1-2-15(25-17(27)11-7-3-5-9-13(11)23-24-25)16(26)22-14-10-6-4-8-12(14)18(19,20)21/h3-10,15H,2H2,1H3,(H,22,26)
InChIKeyMHUGFWBUQAJEML-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.40
Rot. Bonds4

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

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide (PubChem CID 4906707) has the molecular formula C18H15F3N4O2 and a molecular weight of 376.34 g/mol. Its IUPAC name is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
PubChem CID4906707
Molecular FormulaC18H15F3N4O2
Molecular Weight376.34 g/mol
Exact Mass376.11
IUPAC Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccccc1C(F)(F)F)n1nnc2ccccc2c1=O
InChIInChI=1S/C18H15F3N4O2/c1-2-15(25-17(27)11-7-3-5-9-13(11)23-24-25)16(26)22-14-10-6-4-8-12(14)18(19,20)21/h3-10,15H,2H2,1H3,(H,22,26)
InChIKeyMHUGFWBUQAJEML-UHFFFAOYSA-N
XLogP3.40
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(2-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 7618525
N-(2,4-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4907359
(2S)-N-(3-chlorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 7596226
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 4912205
(2S)-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 42270893
(2R,3R)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)pentanoic acid
CID 94654599
N-(2-bromophenyl)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 4901141
2-(3-amino-5-methylsulfanyl-1,2,4-triazol-4-yl)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 46305428
2-[4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24547614
2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
CID 3150750
4-[2-(4-oxo-1,2,3-benzotriazin-3-yl)hexanoylamino]butanoic acid
CID 4970961
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4905448

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide (CID 4906707) is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide is CCC(C(=O)Nc1ccccc1C(F)(F)F)n1nnc2ccccc2c1=O.
What is the InChIKey of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
The InChIKey is MHUGFWBUQAJEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2/c1-2-15(25-17(27)11-7-3-5-9-13(11)23-24-25)16(26)22-14-10-6-4-8-12(14)18(19,20)21/h3-10,15H,2H2,1H3,(H,22,26).
What are the key properties of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide?
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide has a molecular weight of 376.34 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 4906707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).