3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide

C17H14FN3O3 — CID 16905482

IUPAC3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
SMILESO=C(NCCn1nc(-c2ccco2)ccc1=O)c1cccc(F)c1
InChIInChI=1S/C17H14FN3O3/c18-13-4-1-3-12(11-13)17(23)19-8-9-21-16(22)7-6-14(20-21)15-5-2-10-24-15/h1-7,10-11H,8-9H2,(H,19,23)
InChIKeySWESIWVQFKMSHL-UHFFFAOYSA-N
MW327.32 g/mol
LogP2.07
Rot. Bonds5

About 3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide

3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide (PubChem CID 16905482) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
PubChem CID16905482
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
SMILESO=C(NCCn1nc(-c2ccco2)ccc1=O)c1cccc(F)c1
InChIInChI=1S/C17H14FN3O3/c18-13-4-1-3-12(11-13)17(23)19-8-9-21-16(22)7-6-14(20-21)15-5-2-10-24-15/h1-7,10-11H,8-9H2,(H,19,23)
InChIKeySWESIWVQFKMSHL-UHFFFAOYSA-N
XLogP2.07
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121034357
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 16905486
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3H-benzimidazole-5-carboxamide
CID 121034403
3-fluoro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]benzamide
CID 16905666
3,4-diethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905538
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 121034366
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051603
(E)-3-(4-fluorophenyl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]prop-2-enamide
CID 121034389
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
2-ethoxy-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905515
2,4-difluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzenesulfonamide
CID 16905618
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenylbutanamide
CID 16905505

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide?
The IUPAC name of 3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide (CID 16905482) is 3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide?
The canonical SMILES for 3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide is O=C(NCCn1nc(-c2ccco2)ccc1=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide?
The InChIKey is SWESIWVQFKMSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c18-13-4-1-3-12(11-13)17(23)19-8-9-21-16(22)7-6-14(20-21)15-5-2-10-24-15/h1-7,10-11H,8-9H2,(H,19,23).
What are the key properties of 3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide?
3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide has a molecular weight of 327.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 16905482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).