2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide

C19H14ClF2N3O2 — CID 56921831

IUPAC2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)n1nc(-c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C19H14ClF2N3O2/c1-11(19(27)23-17-6-5-14(21)10-15(17)22)25-18(26)8-7-16(24-25)12-3-2-4-13(20)9-12/h2-11H,1H3,(H,23,27)
InChIKeyPWXSQWKCKKITSX-UHFFFAOYSA-N
MW389.79 g/mol
LogP4.04
Rot. Bonds4

About 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide

2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide (PubChem CID 56921831) has the molecular formula C19H14ClF2N3O2 and a molecular weight of 389.79 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide
PubChem CID56921831
Molecular FormulaC19H14ClF2N3O2
Molecular Weight389.79 g/mol
Exact Mass389.07
IUPAC Name2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)n1nc(-c2cccc(Cl)c2)ccc1=O
InChIInChI=1S/C19H14ClF2N3O2/c1-11(19(27)23-17-6-5-14(21)10-15(17)22)25-18(26)8-7-16(24-25)12-3-2-4-13(20)9-12/h2-11H,1H3,(H,23,27)
InChIKeyPWXSQWKCKKITSX-UHFFFAOYSA-N
XLogP4.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.79
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1,1-difluoroethyl)-2-fluorophenyl]-2-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]propanamide
CID 158133710
N-[5-[1-[(2R)-1-(4-fluoro-2-methylanilino)-1-oxopropan-2-yl]-6-oxopyridazin-3-yl]-2-methylphenyl]-2-methylpropanamide
CID 27260776
(2S)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2,5-difluorophenyl)propanamide
CID 27244507
N-(4-bromo-2-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100920
6-(3-chlorophenyl)-2-[4-(3,5-difluorophenyl)-3-oxobutan-2-yl]pyridazin-3-one
CID 158622359
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100989
N-(2-fluorophenyl)-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanamide
CID 121101246
(2S)-2-[3-(3-acetamido-4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 27245360
N-(5-chloro-2-cyanophenyl)-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121100932
N-(3-chloro-2-methylphenyl)-2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1-yl]propanamide
CID 50744781
N-(2,4-difluorophenyl)-2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)propanamide
CID 122279913
(2S)-N-(2,5-difluorophenyl)-2-[6-oxo-3-(1,3,5-trimethylpyrazol-4-yl)pyridazin-1-yl]propanamide
CID 95800919

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide (CID 56921831) is 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide is CC(C(=O)Nc1ccc(F)cc1F)n1nc(-c2cccc(Cl)c2)ccc1=O.
What is the InChIKey of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide?
The InChIKey is PWXSQWKCKKITSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2/c1-11(19(27)23-17-6-5-14(21)10-15(17)22)25-18(26)8-7-16(24-25)12-3-2-4-13(20)9-12/h2-11H,1H3,(H,23,27).
What are the key properties of 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide?
2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide has a molecular weight of 389.79 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenyl)-6-oxopyridazin-1-yl]-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 56921831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).