N-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide

C20H18FN3O2 — CID 2810676

IUPACN-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide
SMILESO=C(CCn1nc(-c2ccc(F)cc2)ccc1=O)NCc1ccccc1
InChIInChI=1S/C20H18FN3O2/c21-17-8-6-16(7-9-17)18-10-11-20(26)24(23-18)13-12-19(25)22-14-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,25)
InChIKeyWVTSVBNOMGAXNO-UHFFFAOYSA-N
MW351.38 g/mol
LogP2.76
Rot. Bonds6

About N-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide

N-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide (PubChem CID 2810676) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is N-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide
PubChem CID2810676
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC NameN-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide
SMILESO=C(CCn1nc(-c2ccc(F)cc2)ccc1=O)NCc1ccccc1
InChIInChI=1S/C20H18FN3O2/c21-17-8-6-16(7-9-17)18-10-11-20(26)24(23-18)13-12-19(25)22-14-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,25)
InChIKeyWVTSVBNOMGAXNO-UHFFFAOYSA-N
XLogP2.76
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
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-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide?
The IUPAC name of N-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide (CID 2810676) is N-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide?
The canonical SMILES for N-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide is O=C(CCn1nc(-c2ccc(F)cc2)ccc1=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide?
The InChIKey is WVTSVBNOMGAXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-17-8-6-16(7-9-17)18-10-11-20(26)24(23-18)13-12-19(25)22-14-15-4-2-1-3-5-15/h1-11H,12-14H2,(H,22,25).
What are the key properties of N-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide?
N-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide has a molecular weight of 351.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 2810676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).