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

C19H14F3N3O3 — CID 92880919

IUPAC(2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
SMILESC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H14F3N3O3/c1-11(19(27)23-13-4-7-15(21)16(22)10-13)28-17-8-9-18(26)25(24-17)14-5-2-12(20)3-6-14/h2-11H,1H3,(H,23,27)/t11-/m1/s1
InChIKeyUCKFLOPAMWKCOD-LLVKDONJSA-N
MW389.33 g/mol
LogP3.06
Rot. Bonds5

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

(2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide (PubChem CID 92880919) has the molecular formula C19H14F3N3O3 and a molecular weight of 389.33 g/mol. Its IUPAC name is (2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
PubChem CID92880919
Molecular FormulaC19H14F3N3O3
Molecular Weight389.33 g/mol
Exact Mass389.10
IUPAC Name(2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
SMILESC[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H14F3N3O3/c1-11(19(27)23-13-4-7-15(21)16(22)10-13)28-17-8-9-18(26)25(24-17)14-5-2-12(20)3-6-14/h2-11H,1H3,(H,23,27)/t11-/m1/s1
InChIKeyUCKFLOPAMWKCOD-LLVKDONJSA-N
XLogP3.06
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
(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
N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381491
ethyl 4-[[(2R)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanoyl]amino]benzoate
CID 92880889
N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 46381499
N-(4-acetamidophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxybutanamide
CID 46381454
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
2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxy-N-(2-methoxy-5-methylphenyl)propanamide
CID 46381519
(2R)-N-(2-ethoxyphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880917

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The IUPAC name of (2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide (CID 92880919) is (2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide.
What is the SMILES notation for (2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The canonical SMILES for (2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide is C[C@@H](Oc1ccc(=O)n(-c2ccc(F)cc2)n1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of (2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
The InChIKey is UCKFLOPAMWKCOD-LLVKDONJSA-N. The full InChI is InChI=1S/C19H14F3N3O3/c1-11(19(27)23-13-4-7-15(21)16(22)10-13)28-17-8-9-18(26)25(24-17)14-5-2-12(20)3-6-14/h2-11H,1H3,(H,23,27)/t11-/m1/s1.
What are the key properties of (2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide?
(2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide has a molecular weight of 389.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4-difluorophenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide is sourced from PubChem (CID 92880919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).