N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide

C17H11F2N3O2 — CID 7710490

IUPACN-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1nn(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C17H11F2N3O2/c18-11-5-7-12(8-6-11)22-10-9-15(23)16(21-22)17(24)20-14-4-2-1-3-13(14)19/h1-10H,(H,20,24)
InChIKeyRJCGJABKQGMDMT-UHFFFAOYSA-N
MW327.29 g/mol
LogP2.76
Rot. Bonds3

About N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide

N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 7710490) has the molecular formula C17H11F2N3O2 and a molecular weight of 327.29 g/mol. Its IUPAC name is N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
PubChem CID7710490
Molecular FormulaC17H11F2N3O2
Molecular Weight327.29 g/mol
Exact Mass327.08
IUPAC NameN-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1nn(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C17H11F2N3O2/c18-11-5-7-12(8-6-11)22-10-9-15(23)16(21-22)17(24)20-14-4-2-1-3-13(14)19/h1-10H,(H,20,24)
InChIKeyRJCGJABKQGMDMT-UHFFFAOYSA-N
XLogP2.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide (CID 7710490) is N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide is O=C(Nc1ccccc1F)c1nn(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is RJCGJABKQGMDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N3O2/c18-11-5-7-12(8-6-11)22-10-9-15(23)16(21-22)17(24)20-14-4-2-1-3-13(14)19/h1-10H,(H,20,24).
What are the key properties of N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 327.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 7710490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).