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

C19H15BrFN3O3 — CID 46381525

IUPACN-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
SMILESCC(Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H15BrFN3O3/c1-12(19(26)22-15-6-2-13(20)3-7-15)27-17-10-11-18(25)24(23-17)16-8-4-14(21)5-9-16/h2-12H,1H3,(H,22,26)
InChIKeyLVRYXOVTQRLOAI-UHFFFAOYSA-N
MW432.25 g/mol
LogP3.54
Rot. Bonds5

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

N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide (PubChem CID 46381525) has the molecular formula C19H15BrFN3O3 and a molecular weight of 432.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
PubChem CID46381525
Molecular FormulaC19H15BrFN3O3
Molecular Weight432.25 g/mol
Exact Mass431.03
IUPAC NameN-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
SMILESCC(Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C19H15BrFN3O3/c1-12(19(26)22-15-6-2-13(20)3-7-15)27-17-10-11-18(25)24(23-17)16-8-4-14(21)5-9-16/h2-12H,1H3,(H,22,26)
InChIKeyLVRYXOVTQRLOAI-UHFFFAOYSA-N
XLogP3.54
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(4-bromo-3-methylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880903
(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
ethyl 4-[[(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92880889
N-(4-acetamidophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381454
(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 92880845
N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381491
N-(2-chloro-4-methylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381503
N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381499
(2R)-N-(2,3-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880865
N-(4-acetylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381392
(2R)-N-(4-acetylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 92895677

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The IUPAC name of N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide (CID 46381525) is N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The canonical SMILES for N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide is CC(Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The InChIKey is LVRYXOVTQRLOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrFN3O3/c1-12(19(26)22-15-6-2-13(20)3-7-15)27-17-10-11-18(25)24(23-17)16-8-4-14(21)5-9-16/h2-12H,1H3,(H,22,26).
What are the key properties of N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide has a molecular weight of 432.25 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide is sourced from PubChem (CID 46381525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).