N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide

C22H16F2N4O2 — CID 122175759

IUPACN-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
SMILESO=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C22H16F2N4O2/c23-15-5-6-19(18(24)12-15)26-21(29)13-28-22(30)17-4-2-1-3-16(17)20(27-28)11-14-7-9-25-10-8-14/h1-10,12H,11,13H2,(H,26,29)
InChIKeyOIUVRQJIEHQTKV-UHFFFAOYSA-N
MW406.39 g/mol
LogP3.30
Rot. Bonds5

About N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide

N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide (PubChem CID 122175759) has the molecular formula C22H16F2N4O2 and a molecular weight of 406.39 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
PubChem CID122175759
Molecular FormulaC22H16F2N4O2
Molecular Weight406.39 g/mol
Exact Mass406.12
IUPAC NameN-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
SMILESO=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)Nc1ccc(F)cc1F
InChIInChI=1S/C22H16F2N4O2/c23-15-5-6-19(18(24)12-15)26-21(29)13-28-22(30)17-4-2-1-3-16(17)20(27-28)11-14-7-9-25-10-8-14/h1-10,12H,11,13H2,(H,26,29)
InChIKeyOIUVRQJIEHQTKV-UHFFFAOYSA-N
XLogP3.30
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875895
2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-propan-2-ylacetamide
CID 6622629
2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 122175769
N-(2-methyl-3-nitrophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 46258676
N-(4-fluorophenyl)-N-methyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875884
N-butyl-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875787
N-(3-ethoxypropyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 20875840
3-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-4-oxophthalazine-1-carboxylate
CID 2362251
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-4-(pyridin-4-ylmethyl)phthalazin-1-one
CID 5308755
N-[4-(furan-2-yl)butan-2-yl]-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide
CID 5308577
N-(2,4-difluorophenyl)-2-[4-methyl-1-(2-methylphenyl)-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846534
N-(5-fluoro-2-methylphenyl)-2-[4-[4-(pyridin-4-ylmethyl)phthalazin-1-yl]piperazin-1-yl]acetamide
CID 46855899

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide (CID 122175759) is N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide is O=C(Cn1nc(Cc2ccncc2)c2ccccc2c1=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
The InChIKey is OIUVRQJIEHQTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O2/c23-15-5-6-19(18(24)12-15)26-21(29)13-28-22(30)17-4-2-1-3-16(17)20(27-28)11-14-7-9-25-10-8-14/h1-10,12H,11,13H2,(H,26,29).
What are the key properties of N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide?
N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide has a molecular weight of 406.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]acetamide is sourced from PubChem (CID 122175759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).