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

C19H15F4N3O3 — CID 52904213

IUPAC(2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
SMILESC[C@@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C19H15F4N3O3/c1-11(10-26-17(27)7-6-15(25-26)16-3-2-8-29-16)18(28)24-12-4-5-14(20)13(9-12)19(21,22)23/h2-9,11H,10H2,1H3,(H,24,28)/t11-/m0/s1
InChIKeyOOYYJKFAGZFVLM-NSHDSACASA-N
MW409.34 g/mol
LogP3.94
Rot. Bonds5

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

(2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide (PubChem CID 52904213) has the molecular formula C19H15F4N3O3 and a molecular weight of 409.34 g/mol. Its IUPAC name is (2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name(2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
PubChem CID52904213
Molecular FormulaC19H15F4N3O3
Molecular Weight409.34 g/mol
Exact Mass409.10
IUPAC Name(2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide
SMILESC[C@@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C19H15F4N3O3/c1-11(10-26-17(27)7-6-15(25-26)16-3-2-8-29-16)18(28)24-12-4-5-14(20)13(9-12)19(21,22)23/h2-9,11H,10H2,1H3,(H,24,28)/t11-/m0/s1
InChIKeyOOYYJKFAGZFVLM-NSHDSACASA-N
XLogP3.94
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.34
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide
CID 121049762
(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(2-methylsulfanylphenyl)propanamide
CID 52904228
(2S)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylpropanamide
CID 52904235
(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 52904218
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 71884102
N-(3,4-dimethylphenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076031
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-(6-oxopyridazin-1-yl)propanamide
CID 121079689
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 121049777
N-(3-chlorophenyl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076032
(2R)-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 52904226
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228
N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 121034357

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
The IUPAC name of (2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide (CID 52904213) is (2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide.
What is the SMILES notation for (2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
The canonical SMILES for (2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide is C[C@@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of (2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
The InChIKey is OOYYJKFAGZFVLM-NSHDSACASA-N. The full InChI is InChI=1S/C19H15F4N3O3/c1-11(10-26-17(27)7-6-15(25-26)16-3-2-8-29-16)18(28)24-12-4-5-14(20)13(9-12)19(21,22)23/h2-9,11H,10H2,1H3,(H,24,28)/t11-/m0/s1.
What are the key properties of (2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide?
(2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide has a molecular weight of 409.34 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-2-methylpropanamide is sourced from PubChem (CID 52904213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).