4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one

C17H15FN2O — CID 148786436

IUPAC4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
SMILESCCc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C17H15FN2O/c1-2-12-9-11(7-8-15(12)18)10-16-13-5-3-4-6-14(13)17(21)20-19-16/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyOLHYAQQMDXQQAZ-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.22
Rot. Bonds3

About 4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one

4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one (PubChem CID 148786436) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
PubChem CID148786436
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
SMILESCCc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
InChIInChI=1S/C17H15FN2O/c1-2-12-9-11(7-8-15(12)18)10-16-13-5-3-4-6-14(13)17(21)20-19-16/h3-9H,2,10H2,1H3,(H,20,21)
InChIKeyOLHYAQQMDXQQAZ-UHFFFAOYSA-N
XLogP3.22
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-acetyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one
CID 70255127
4-[[4-fluoro-3-(pyrrole-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 141450757
ethane;4-[(3-ethenyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one;methanol
CID 145385826
2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]-N,N-dipropylbenzamide
CID 134297763
2-[3-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-2-oxopropyl]butanedioic acid
CID 123400966
4-[[4-fluoro-3-(piperidine-4-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 163757075
4-[[4-fluoro-3-[2-(methylamino)-3H-benzimidazol-5-yl]phenyl]methyl]-2H-phthalazin-1-one
CID 166667486
4-[[4-fluoro-3-(4-hydroxy-1-propan-2-yl-1,4-azaphosphinan-4-ium-4-yl)phenyl]methyl]-2H-phthalazin-1-one
CID 90314959
4-[[4-fluoro-3-(piperazine-1-carbonyl)phenyl]methyl]-2H-phthalazin-1-one
CID 11726399
4-[[4-fluoro-3-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-2H-phthalazin-1-one
CID 167955461
4-[[3-(2-ethyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carbonyl)-4-fluorophenyl]methyl]-2H-phthalazin-1-one
CID 76684088
4-[[4-fluoro-3-[1-(2-methylpropyl)-4-oxo-1,4λ5-azaphosphinan-4-yl]phenyl]methyl]-2H-phthalazin-1-one
CID 71078327

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one?
The IUPAC name of 4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one (CID 148786436) is 4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one.
What is the SMILES notation for 4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one?
The canonical SMILES for 4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one is CCc1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F.
What is the InChIKey of 4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one?
The InChIKey is OLHYAQQMDXQQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-2-12-9-11(7-8-15(12)18)10-16-13-5-3-4-6-14(13)17(21)20-19-16/h3-9H,2,10H2,1H3,(H,20,21).
What are the key properties of 4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one?
4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one has a molecular weight of 282.32 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethyl-4-fluorophenyl)methyl]-2H-phthalazin-1-one is sourced from PubChem (CID 148786436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).