2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide

C21H14F2N4O2 — CID 70976254

IUPAC2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nn1nc(-c2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C21H14F2N4O2/c22-14-9-13(10-15(23)12-14)11-19(28)25-27-21(29)17-6-2-1-5-16(17)20(26-27)18-7-3-4-8-24-18/h1-10,12H,11H2,(H,25,28)
InChIKeyOKLUXKKHUHCJQT-UHFFFAOYSA-N
MW392.37 g/mol
LogP3.05
Rot. Bonds4

About 2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide

2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide (PubChem CID 70976254) has the molecular formula C21H14F2N4O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide
PubChem CID70976254
Molecular FormulaC21H14F2N4O2
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC Name2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nn1nc(-c2ccccn2)c2ccccc2c1=O
InChIInChI=1S/C21H14F2N4O2/c22-14-9-13(10-15(23)12-14)11-19(28)25-27-21(29)17-6-2-1-5-16(17)20(26-27)18-7-3-4-8-24-18/h1-10,12H,11H2,(H,25,28)
InChIKeyOKLUXKKHUHCJQT-UHFFFAOYSA-N
XLogP3.05
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

WM-1119
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Di-2-pyridyl ketone benzoylhydrazone
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N-[[phenyl(pyridin-2-yl)methylidene]amino]benzamide
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2-fluoro-N-(1-pyridin-2-ylethylideneamino)benzamide
CID 5335659
4-fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]benzamide
CID 5720743
4-(dimethylamino)-N'-[(E)-pyridin-2-ylmethylidene]benzohydrazide
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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide (CID 70976254) is 2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide is O=C(Cc1cc(F)cc(F)c1)Nn1nc(-c2ccccn2)c2ccccc2c1=O.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide?
The InChIKey is OKLUXKKHUHCJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O2/c22-14-9-13(10-15(23)12-14)11-19(28)25-27-21(29)17-6-2-1-5-16(17)20(26-27)18-7-3-4-8-24-18/h1-10,12H,11H2,(H,25,28).
What are the key properties of 2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide?
2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide has a molecular weight of 392.37 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-(1-oxo-4-pyridin-2-ylphthalazin-2-yl)acetamide is sourced from PubChem (CID 70976254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).