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

C25H19F2N3O3 — CID 53005597

IUPAC4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1
InChIInChI=1S/C25H19F2N3O3/c26-20-6-3-4-17(14-20)16-33-23-12-13-24(31)30(29-23)21-10-8-18(9-11-21)25(32)28-15-19-5-1-2-7-22(19)27/h1-14H,15-16H2,(H,28,32)
InChIKeyWLXNIAWJHSJRMT-UHFFFAOYSA-N
MW447.44 g/mol
LogP4.02
Rot. Bonds7

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

4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]benzamide (PubChem CID 53005597) has the molecular formula C25H19F2N3O3 and a molecular weight of 447.44 g/mol. Its IUPAC name is 4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]benzamide
PubChem CID53005597
Molecular FormulaC25H19F2N3O3
Molecular Weight447.44 g/mol
Exact Mass447.14
IUPAC Name4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1F)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1
InChIInChI=1S/C25H19F2N3O3/c26-20-6-3-4-17(14-20)16-33-23-12-13-24(31)30(29-23)21-10-8-18(9-11-21)25(32)28-15-19-5-1-2-7-22(19)27/h1-14H,15-16H2,(H,28,32)
InChIKeyWLXNIAWJHSJRMT-UHFFFAOYSA-N
XLogP4.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]benzamide?
The IUPAC name of 4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]benzamide (CID 53005597) is 4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]benzamide?
The canonical SMILES for 4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]benzamide is O=C(NCc1ccccc1F)c1ccc(-n2nc(OCc3cccc(F)c3)ccc2=O)cc1.
What is the InChIKey of 4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]benzamide?
The InChIKey is WLXNIAWJHSJRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O3/c26-20-6-3-4-17(14-20)16-33-23-12-13-24(31)30(29-23)21-10-8-18(9-11-21)25(32)28-15-19-5-1-2-7-22(19)27/h1-14H,15-16H2,(H,28,32).
What are the key properties of 4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]benzamide?
4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]benzamide has a molecular weight of 447.44 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-fluorophenyl)methoxy]-6-oxopyridazin-1-yl]-N-[(2-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 53005597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).