6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C18H11F5N4O — CID 109129782

IUPAC6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C18H11F5N4O/c19-13-6-5-12(9-14(13)20)24-16-8-7-15(26-27-16)17(28)25-11-3-1-10(2-4-11)18(21,22)23/h1-9H,(H,24,27)(H,25,28)
InChIKeyDUFOHLVEEHAYNO-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.77
Rot. Bonds4

About 6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 109129782) has the molecular formula C18H11F5N4O and a molecular weight of 394.30 g/mol. Its IUPAC name is 6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID109129782
Molecular FormulaC18H11F5N4O
Molecular Weight394.30 g/mol
Exact Mass394.09
IUPAC Name6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Nc2ccc(F)c(F)c2)nn1
InChIInChI=1S/C18H11F5N4O/c19-13-6-5-12(9-14(13)20)24-16-8-7-15(26-27-16)17(28)25-11-3-1-10(2-4-11)18(21,22)23/h1-9H,(H,24,27)(H,25,28)
InChIKeyDUFOHLVEEHAYNO-UHFFFAOYSA-N
XLogP4.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-difluoroanilino)-N-(4-fluorophenyl)pyridazine-3-carboxamide
CID 109128571
N-(4-acetamidophenyl)-6-(3,4-difluoroanilino)pyridazine-3-carboxamide
CID 109129918
N-(4-fluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109128539
6-(3,4-difluoroanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridazine-3-carboxamide
CID 109130191
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130401
6-(3-fluoroanilino)-N-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109129760
methyl 3-[[6-[(3,4-difluorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109129957
N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109130413
6-(3,4-difluoroanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111343
N-(2,4-difluorophenyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109129753
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 109129782) is 6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(Nc2ccc(F)c(F)c2)nn1.
What is the InChIKey of 6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is DUFOHLVEEHAYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F5N4O/c19-13-6-5-12(9-14(13)20)24-16-8-7-15(26-27-16)17(28)25-11-3-1-10(2-4-11)18(21,22)23/h1-9H,(H,24,27)(H,25,28).
What are the key properties of 6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 394.30 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluoroanilino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 109129782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).