N-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide

C24H17F2N3O3 — CID 53005587

IUPACN-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1
InChIInChI=1S/C24H17F2N3O3/c25-18-5-3-4-16(14-18)15-32-22-12-13-23(30)29(28-22)19-10-8-17(9-11-19)24(31)27-21-7-2-1-6-20(21)26/h1-14H,15H2,(H,27,31)
InChIKeyLOJUBRCLBURACE-UHFFFAOYSA-N
MW433.41 g/mol
LogP4.34
Rot. Bonds6

About N-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide

N-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide (PubChem CID 53005587) has the molecular formula C24H17F2N3O3 and a molecular weight of 433.41 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide
PubChem CID53005587
Molecular FormulaC24H17F2N3O3
Molecular Weight433.41 g/mol
Exact Mass433.12
IUPAC NameN-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide
SMILESO=C(Nc1ccccc1F)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1
InChIInChI=1S/C24H17F2N3O3/c25-18-5-3-4-16(14-18)15-32-22-12-13-23(30)29(28-22)19-10-8-17(9-11-19)24(31)27-21-7-2-1-6-20(21)26/h1-14H,15H2,(H,27,31)
InChIKeyLOJUBRCLBURACE-UHFFFAOYSA-N
XLogP4.34
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
The IUPAC name of N-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide (CID 53005587) is N-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
The canonical SMILES for N-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide is O=C(Nc1ccccc1F)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1.
What is the InChIKey of N-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
The InChIKey is LOJUBRCLBURACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O3/c25-18-5-3-4-16(14-18)15-32-22-12-13-23(30)29(28-22)19-10-8-17(9-11-19)24(31)27-21-7-2-1-6-20(21)26/h1-14H,15H2,(H,27,31).
What are the key properties of N-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide?
N-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide has a molecular weight of 433.41 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]benzamide is sourced from PubChem (CID 53005587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).