2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one

C24H20FN3O — CID 155346300

IUPAC2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one
SMILESCC(C)/N=C\c1ccccc1-c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12
InChIInChI=1S/C24H20FN3O/c1-16(2)26-15-17-7-3-4-8-20(17)23-21-9-5-6-10-22(21)24(29)28(27-23)19-13-11-18(25)12-14-19/h3-16H,1-2H3/b26-15-
InChIKeyNPAFRTFFRVWDKY-YSMPRRRNSA-N
MW385.44 g/mol
LogP5.02
Rot. Bonds4

About 2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one

2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one (PubChem CID 155346300) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one
PubChem CID155346300
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC Name2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one
SMILESCC(C)/N=C\c1ccccc1-c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12
InChIInChI=1S/C24H20FN3O/c1-16(2)26-15-17-7-3-4-8-20(17)23-21-9-5-6-10-22(21)24(29)28(27-23)19-13-11-18(25)12-14-19/h3-16H,1-2H3/b26-15-
InChIKeyNPAFRTFFRVWDKY-YSMPRRRNSA-N
XLogP5.02
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.44
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[3-fluoro-4-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]phenyl]-N-propan-2-ylmethanimine oxide
CID 155346125
2-(4-fluorophenyl)-4-pyridin-3-ylphthalazin-1-one
CID 22079223
3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 155346138
methyl 3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]benzoate
CID 155346228
3-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]-N-hydroxybenzamide
CID 155346362
N-tert-butyl-1-[5-[3-(4-fluorophenyl)-4-oxophthalazin-1-yl]thiophen-2-yl]methanimine oxide
CID 164828835
2-(4-chlorophenyl)-4-phenylphthalazin-1-one
CID 110172596
3-(4-bromophenyl)-2,3-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1,5(16),6,8,10,12,14-heptaen-4-one
CID 155801520
4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)phthalazin-1-one
CID 110192745
4-(6,7-difluoro-1,3-benzodioxol-5-yl)-7-fluoro-2-(4-fluorophenyl)phthalazin-1-one
CID 22079232
1-[3-[3-(3-fluorophenyl)-4-oxophthalazin-1-yl]phenyl]-N-propan-2-ylmethanimine oxide
CID 155346158
1-(2,4-difluorophenyl)-3-[4-[4-(1-methylpyrazol-4-yl)-1-oxophthalazin-2-yl]phenyl]urea
CID 162656822

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one?
The IUPAC name of 2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one (CID 155346300) is 2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one is CC(C)/N=C\c1ccccc1-c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one?
The InChIKey is NPAFRTFFRVWDKY-YSMPRRRNSA-N. The full InChI is InChI=1S/C24H20FN3O/c1-16(2)26-15-17-7-3-4-8-20(17)23-21-9-5-6-10-22(21)24(29)28(27-23)19-13-11-18(25)12-14-19/h3-16H,1-2H3/b26-15-.
What are the key properties of 2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one?
2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one has a molecular weight of 385.44 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[2-(propan-2-yliminomethyl)phenyl]phthalazin-1-one is sourced from PubChem (CID 155346300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).