(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide

C20H15F4N3O3 — CID 92880845

IUPAC(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F4N3O3/c1-12(19(29)25-15-4-2-3-13(11-15)20(22,23)24)30-17-9-10-18(28)27(26-17)16-7-5-14(21)6-8-16/h2-12H,1H3,(H,25,29)/t12-/m1/s1
InChIKeyRNMQVUGRIYLFQU-GFCCVEGCSA-N
MW421.35 g/mol
LogP3.80
Rot. Bonds5

About (2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide

(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 92880845) has the molecular formula C20H15F4N3O3 and a molecular weight of 421.35 g/mol. Its IUPAC name is (2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID92880845
Molecular FormulaC20H15F4N3O3
Molecular Weight421.35 g/mol
Exact Mass421.10
IUPAC Name(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H15F4N3O3/c1-12(19(29)25-15-4-2-3-13(11-15)20(22,23)24)30-17-9-10-18(28)27(26-17)16-7-5-14(21)6-8-16/h2-12H,1H3,(H,25,29)/t12-/m1/s1
InChIKeyRNMQVUGRIYLFQU-GFCCVEGCSA-N
XLogP3.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 92880947
(2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880919
(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 92880924
N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381525
(2R)-N-(4-bromo-3-methylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880903
N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381491
(2R)-N-(2,3-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880865
ethyl 4-[[(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92880889
N-(3-acetylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381436
N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381499
(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-(3-methylsulfanylphenyl)butanamide
CID 92880765
(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-(3-methylsulfanylphenyl)butanamide
CID 92880766

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide (CID 92880845) is (2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide is C[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is RNMQVUGRIYLFQU-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H15F4N3O3/c1-12(19(29)25-15-4-2-3-13(11-15)20(22,23)24)30-17-9-10-18(28)27(26-17)16-7-5-14(21)6-8-16/h2-12H,1H3,(H,25,29)/t12-/m1/s1.
What are the key properties of (2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide?
(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 421.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 92880845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).