N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide

C21H20FN3O3 — CID 46381499

IUPACN-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
SMILESCc1ccc(C)c(NC(=O)C(C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C21H20FN3O3/c1-13-4-5-14(2)18(12-13)23-21(27)15(3)28-19-10-11-20(26)25(24-19)17-8-6-16(22)7-9-17/h4-12,15H,1-3H3,(H,23,27)
InChIKeySPNHJDKCOMIINH-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.39
Rot. Bonds5

About N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide

N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide (PubChem CID 46381499) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
PubChem CID46381499
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
SMILESCc1ccc(C)c(NC(=O)C(C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)c1
InChIInChI=1S/C21H20FN3O3/c1-13-4-5-14(2)18(12-13)23-21(27)15(3)28-19-10-11-20(26)25(24-19)17-8-6-16(22)7-9-17/h4-12,15H,1-3H3,(H,23,27)
InChIKeySPNHJDKCOMIINH-UHFFFAOYSA-N
XLogP3.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methoxy-5-methylphenyl)propanamide
CID 46381519
N-(2-chloro-4-methylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381503
(2R)-N-(2,3-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880865
N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381491
(2R)-2-[1-(5-chloro-2-methylphenyl)-6-oxopyridazin-3-yl]oxy-N-(2,5-dimethylphenyl)propanamide
CID 92881157
N-(2-chloro-4-methylphenyl)-2-[1-(3,4-dimethylphenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381627
(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
(2R)-N-(2-ethoxyphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880917
N-(4-bromophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381525
(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-[3-(trifluoromethyl)phenyl]propanamide
CID 92880845
ethyl 4-[[(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92880889

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide (CID 46381499) is N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide is Cc1ccc(C)c(NC(=O)C(C)Oc2ccc(=O)n(-c3ccc(F)cc3)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The InChIKey is SPNHJDKCOMIINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-13-4-5-14(2)18(12-13)23-21(27)15(3)28-19-10-11-20(26)25(24-19)17-8-6-16(22)7-9-17/h4-12,15H,1-3H3,(H,23,27).
What are the key properties of N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide has a molecular weight of 381.41 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide is sourced from PubChem (CID 46381499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).