4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide

C12H7F4N3O — CID 115635769

IUPAC4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccnn1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H7F4N3O/c13-9-4-3-7(6-8(9)12(14,15)16)11(20)18-10-2-1-5-17-19-10/h1-6H,(H,18,19,20)
InChIKeyKWROJTMFBQFMFX-UHFFFAOYSA-N
MW285.20 g/mol
LogP2.89
Rot. Bonds2

About 4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide

4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide (PubChem CID 115635769) has the molecular formula C12H7F4N3O and a molecular weight of 285.20 g/mol. Its IUPAC name is 4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide
PubChem CID115635769
Molecular FormulaC12H7F4N3O
Molecular Weight285.20 g/mol
Exact Mass285.05
IUPAC Name4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccnn1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H7F4N3O/c13-9-4-3-7(6-8(9)12(14,15)16)11(20)18-10-2-1-5-17-19-10/h1-6H,(H,18,19,20)
InChIKeyKWROJTMFBQFMFX-UHFFFAOYSA-N
XLogP2.89
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(1,2,4-triazin-3-yl)-3-(trifluoromethyl)benzamide
CID 114387361
3,4,5-trifluoro-N-pyridazin-3-ylbenzamide
CID 113238408
4-fluoro-N-(1,2-oxazol-3-yl)-3-(trifluoromethyl)benzamide
CID 55131451
4-amino-N-pyridazin-3-ylbenzamide
CID 116785969
3-bromo-N-pyridazin-3-ylbenzamide
CID 115635713
N-pyridazin-3-yl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 116786865
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
N-pyridazin-3-yl-1H-indole-5-carboxamide
CID 115635745
N-pyridazin-3-ylpyridine-3-carboxamide
CID 127108426
4-hydroxy-3,5-dimethyl-N-pyridazin-3-ylbenzamide
CID 21109039
[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]thiourea
CID 65216860
4-[[4-fluoro-3-(trifluoromethyl)phenyl]methylidene]-3-methyl-N-pyridazin-3-ylpiperidine-1-carboxamide
CID 66884470

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide (CID 115635769) is 4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide is O=C(Nc1cccnn1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide?
The InChIKey is KWROJTMFBQFMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N3O/c13-9-4-3-7(6-8(9)12(14,15)16)11(20)18-10-2-1-5-17-19-10/h1-6H,(H,18,19,20).
What are the key properties of 4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide?
4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide has a molecular weight of 285.20 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-pyridazin-3-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 115635769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).