N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide

C17H11F4N3O3 — CID 121049762

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C17H11F4N3O3/c18-12-4-3-10(8-11(12)17(19,20)21)22-15(25)9-24-16(26)6-5-13(23-24)14-2-1-7-27-14/h1-8H,9H2,(H,22,25)
InChIKeyUHRFMDQXXZDJGV-UHFFFAOYSA-N
MW381.29 g/mol
LogP3.30
Rot. Bonds4

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 121049762) has the molecular formula C17H11F4N3O3 and a molecular weight of 381.29 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
PubChem CID121049762
Molecular FormulaC17H11F4N3O3
Molecular Weight381.29 g/mol
Exact Mass381.07
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
SMILESO=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C17H11F4N3O3/c18-12-4-3-10(8-11(12)17(19,20)21)22-15(25)9-24-16(26)6-5-13(23-24)14-2-1-7-27-14/h1-8H,9H2,(H,22,25)
InChIKeyUHRFMDQXXZDJGV-UHFFFAOYSA-N
XLogP3.30
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
CID 52904213
N-(1,3-benzodioxol-5-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 7659439
N-(9H-fluoren-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121049822
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 121050162
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121049777
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 56761226
N-(2,5-dimethoxyphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 7658294
N-[2-(4-fluorophenyl)ethyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121049819
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121051603
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 71884102
N-(3-chloro-4-fluorophenyl)-2-[3-(2-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51043652
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(furan-2-yl)-3-methylpyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19482021

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide (CID 121049762) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is O=C(Cn1nc(-c2ccco2)ccc1=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is UHRFMDQXXZDJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O3/c18-12-4-3-10(8-11(12)17(19,20)21)22-15(25)9-24-16(26)6-5-13(23-24)14-2-1-7-27-14/h1-8H,9H2,(H,22,25).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 381.29 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 121049762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).