4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide

C17H10F4N4O — CID 113051478

IUPAC4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)c(F)c2F)nn1)c1ccc(F)cc1
InChIInChI=1S/C17H10F4N4O/c18-10-3-1-9(2-4-10)17(26)23-14-8-7-13(24-25-14)22-12-6-5-11(19)15(20)16(12)21/h1-8H,(H,22,24)(H,23,25,26)
InChIKeyJFISFPQSNUYHTF-UHFFFAOYSA-N
MW362.29 g/mol
LogP4.03
Rot. Bonds4

About 4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide

4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide (PubChem CID 113051478) has the molecular formula C17H10F4N4O and a molecular weight of 362.29 g/mol. Its IUPAC name is 4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
PubChem CID113051478
Molecular FormulaC17H10F4N4O
Molecular Weight362.29 g/mol
Exact Mass362.08
IUPAC Name4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
SMILESO=C(Nc1ccc(Nc2ccc(F)c(F)c2F)nn1)c1ccc(F)cc1
InChIInChI=1S/C17H10F4N4O/c18-10-3-1-9(2-4-10)17(26)23-14-8-7-13(24-25-14)22-12-6-5-11(19)15(20)16(12)21/h1-8H,(H,22,24)(H,23,25,26)
InChIKeyJFISFPQSNUYHTF-UHFFFAOYSA-N
XLogP4.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide
CID 113051480
4-fluoro-N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045599
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide
CID 113049285
2-ethyl-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]butanamide
CID 113051469
3,4-difluoro-N-[6-(2,3,4-trifluoroanilino)-3-pyridinyl]benzamide
CID 113023072
ethyl 2-[[6-[(4-fluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113051053
4-methoxy-N-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]benzamide
CID 113037430
N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130401
N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109109786
N-(3-fluorophenyl)-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109164774
1-cyclohexyl-3-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]urea
CID 113051505
N-[2-(4-fluorophenyl)ethyl]-6-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109158740

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide (CID 113051478) is 4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide is O=C(Nc1ccc(Nc2ccc(F)c(F)c2F)nn1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide?
The InChIKey is JFISFPQSNUYHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F4N4O/c18-10-3-1-9(2-4-10)17(26)23-14-8-7-13(24-25-14)22-12-6-5-11(19)15(20)16(12)21/h1-8H,(H,22,24)(H,23,25,26).
What are the key properties of 4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide?
4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide has a molecular weight of 362.29 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[6-(2,3,4-trifluoroanilino)pyridazin-3-yl]benzamide is sourced from PubChem (CID 113051478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).