5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide

C12H8ClF4N3O2 — CID 166832156

IUPAC5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1=CC(O)NN=C1)c1cc(Cl)c(C(F)(F)F)cc1F
InChIInChI=1S/C12H8ClF4N3O2/c13-8-2-6(9(14)3-7(8)12(15,16)17)11(22)19-5-1-10(21)20-18-4-5/h1-4,10,20-21H,(H,19,22)
InChIKeyCMRFDHDYCUQHTO-UHFFFAOYSA-N
MW337.66 g/mol
LogP2.02
Rot. Bonds2

About 5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide

5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide (PubChem CID 166832156) has the molecular formula C12H8ClF4N3O2 and a molecular weight of 337.66 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide
PubChem CID166832156
Molecular FormulaC12H8ClF4N3O2
Molecular Weight337.66 g/mol
Exact Mass337.02
IUPAC Name5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide
SMILESO=C(NC1=CC(O)NN=C1)c1cc(Cl)c(C(F)(F)F)cc1F
InChIInChI=1S/C12H8ClF4N3O2/c13-8-2-6(9(14)3-7(8)12(15,16)17)11(22)19-5-1-10(21)20-18-4-5/h1-4,10,20-21H,(H,19,22)
InChIKeyCMRFDHDYCUQHTO-UHFFFAOYSA-N
XLogP2.02
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.66
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-fluoro-N-pyrimidin-5-yl-4-(trifluoromethyl)benzamide
CID 170632931
5-chloro-2-fluoro-4-(trifluoromethyl)benzamide
CID 168990948
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]-3-fluorobenzamide
CID 110452028
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]-4-fluorobenzamide
CID 17168217
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide
CID 163812188
4-(3-chloro-2-pyridinyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-fluorobenzamide
CID 11407730
6-chloro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]-1,3-benzodioxole-5-carboxamide
CID 10179392
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78903769
5-chloro-N-[4-fluoro-3-(methylsulfonimidoyl)phenyl]-4-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]benzamide
CID 169123979
2,5-difluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]benzamide
CID 24573056
5-chloro-2-[(2-ethyl-4-fluorophenyl)methyl]-N-(2-oxo-1H-pyridin-4-yl)-4-(trifluoromethyl)benzamide
CID 154659082

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide (CID 166832156) is 5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide is O=C(NC1=CC(O)NN=C1)c1cc(Cl)c(C(F)(F)F)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is CMRFDHDYCUQHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF4N3O2/c13-8-2-6(9(14)3-7(8)12(15,16)17)11(22)19-5-1-10(21)20-18-4-5/h1-4,10,20-21H,(H,19,22).
What are the key properties of 5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide?
5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 337.66 g/mol, XLogP of 2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-(6-hydroxy-1,6-dihydropyridazin-4-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 166832156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).