1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide

C19H12F4N4O3 — CID 55630701

IUPAC1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide
SMILESO=C(CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H12F4N4O3/c20-10-1-3-11(4-2-10)27-16(29)8-7-14(26-27)19(30)24-9-15(28)25-13-6-5-12(21)17(22)18(13)23/h1-8H,9H2,(H,24,30)(H,25,28)
InChIKeyQBACNPJAGSKHGF-UHFFFAOYSA-N
MW420.32 g/mol
LogP2.16
Rot. Bonds5

About 1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide

1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide (PubChem CID 55630701) has the molecular formula C19H12F4N4O3 and a molecular weight of 420.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide
PubChem CID55630701
Molecular FormulaC19H12F4N4O3
Molecular Weight420.32 g/mol
Exact Mass420.08
IUPAC Name1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide
SMILESO=C(CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H12F4N4O3/c20-10-1-3-11(4-2-10)27-16(29)8-7-14(26-27)19(30)24-9-15(28)25-13-6-5-12(21)17(22)18(13)23/h1-8H,9H2,(H,24,30)(H,25,28)
InChIKeyQBACNPJAGSKHGF-UHFFFAOYSA-N
XLogP2.16
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.32
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632249
N-[2-(4-chlorophenyl)sulfanylethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55633633
N-[2-(ethylamino)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119505450
1-(4-fluorophenyl)-N-[2-(methylamino)propyl]-6-oxopyridazine-3-carboxamide;hydrochloride
CID 120832876
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55950631
5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide
CID 27812683
N-[(5-chlorothiophen-2-yl)methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55632306
3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16882872
N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 55807504
1-(4-fluorophenyl)-6-oxo-N-(2-pyridin-3-ylethyl)pyridazine-3-carboxamide
CID 86979076
1-(4-fluorophenyl)-6-oxo-N-[(4-phenoxyphenyl)methyl]pyridazine-3-carboxamide
CID 60622520
1-(4-fluorophenyl)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxopyridazine-3-carboxamide
CID 55630366

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide (CID 55630701) is 1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide is O=C(CNC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide?
The InChIKey is QBACNPJAGSKHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4O3/c20-10-1-3-11(4-2-10)27-16(29)8-7-14(26-27)19(30)24-9-15(28)25-13-6-5-12(21)17(22)18(13)23/h1-8H,9H2,(H,24,30)(H,25,28).
What are the key properties of 1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide?
1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide has a molecular weight of 420.32 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 55630701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).