N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide

C19H15F2N3O3 — CID 46381491

IUPACN-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
SMILESCC(Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H15F2N3O3/c1-12(19(26)22-16-5-3-2-4-15(16)21)27-17-10-11-18(25)24(23-17)14-8-6-13(20)7-9-14/h2-12H,1H3,(H,22,26)
InChIKeyNCAAKZSWDJIWRG-UHFFFAOYSA-N
MW371.34 g/mol
LogP2.92
Rot. Bonds5

About N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide

N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide (PubChem CID 46381491) has the molecular formula C19H15F2N3O3 and a molecular weight of 371.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
PubChem CID46381491
Molecular FormulaC19H15F2N3O3
Molecular Weight371.34 g/mol
Exact Mass371.11
IUPAC NameN-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
SMILESCC(Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H15F2N3O3/c1-12(19(26)22-16-5-3-2-4-15(16)21)27-17-10-11-18(25)24(23-17)14-8-6-13(20)7-9-14/h2-12H,1H3,(H,22,26)
InChIKeyNCAAKZSWDJIWRG-UHFFFAOYSA-N
XLogP2.92
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-ethoxyphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880917
(2R)-N-(2,3-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880865
N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381499
(2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880919
N-(2-chloro-4-methylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381503
N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381525
2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methoxy-5-methylphenyl)propanamide
CID 46381519
(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 92880845
(2S)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 92880924
(2R)-N-(4-bromo-3-methylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880903
ethyl 4-[[(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92880889
(2R)-N-(2,3-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 92880709

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The IUPAC name of N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide (CID 46381491) is N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide is CC(Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The InChIKey is NCAAKZSWDJIWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O3/c1-12(19(26)22-16-5-3-2-4-15(16)21)27-17-10-11-18(25)24(23-17)14-8-6-13(20)7-9-14/h2-12H,1H3,(H,22,26).
What are the key properties of N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide has a molecular weight of 371.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide is sourced from PubChem (CID 46381491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).