N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide

C19H13F6N3O3 — CID 121034357

IUPACN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCCn1nc(-c2ccco2)ccc1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H13F6N3O3/c20-18(21,22)12-8-11(9-13(10-12)19(23,24)25)17(30)26-5-6-28-16(29)4-3-14(27-28)15-2-1-7-31-15/h1-4,7-10H,5-6H2,(H,26,30)
InChIKeyRTHAVKPRYLGQBF-UHFFFAOYSA-N
MW445.32 g/mol
LogP3.97
Rot. Bonds5

About N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 121034357) has the molecular formula C19H13F6N3O3 and a molecular weight of 445.32 g/mol. Its IUPAC name is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID121034357
Molecular FormulaC19H13F6N3O3
Molecular Weight445.32 g/mol
Exact Mass445.09
IUPAC NameN-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCCn1nc(-c2ccco2)ccc1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H13F6N3O3/c20-18(21,22)12-8-11(9-13(10-12)19(23,24)25)17(30)26-5-6-28-16(29)4-3-14(27-28)15-2-1-7-31-15/h1-4,7-10H,5-6H2,(H,26,30)
InChIKeyRTHAVKPRYLGQBF-UHFFFAOYSA-N
XLogP3.97
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.32
LogP ≤ 53.97
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]-4-(trifluoromethyl)benzamide
CID 16905486
3-fluoro-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]benzamide
CID 16905482
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]-3H-benzimidazole-5-carboxamide
CID 121034403
N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90538823
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-2-methylsulfanylbenzamide
CID 121034366
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
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 18569648
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
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-4-phenylbutanamide
CID 16905505

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide (CID 121034357) is N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide is O=C(NCCn1nc(-c2ccco2)ccc1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is RTHAVKPRYLGQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F6N3O3/c20-18(21,22)12-8-11(9-13(10-12)19(23,24)25)17(30)26-5-6-28-16(29)4-3-14(27-28)15-2-1-7-31-15/h1-4,7-10H,5-6H2,(H,26,30).
What are the key properties of N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 445.32 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 121034357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).