2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one

C17H14ClFN2O — CID 142711548

IUPAC2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2cccc(F)c2)nn1CCCCl
InChIInChI=1S/C17H14ClFN2O/c18-9-4-10-21-17(22)15-8-2-1-7-14(15)16(20-21)12-5-3-6-13(19)11-12/h1-3,5-8,11H,4,9-10H2
InChIKeyZAMBVZOFZKNKPT-UHFFFAOYSA-N
MW316.76 g/mol
LogP3.83
Rot. Bonds4

About 2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one

2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one (PubChem CID 142711548) has the molecular formula C17H14ClFN2O and a molecular weight of 316.76 g/mol. Its IUPAC name is 2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one
PubChem CID142711548
Molecular FormulaC17H14ClFN2O
Molecular Weight316.76 g/mol
Exact Mass316.08
IUPAC Name2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one
SMILESO=c1c2ccccc2c(-c2cccc(F)c2)nn1CCCCl
InChIInChI=1S/C17H14ClFN2O/c18-9-4-10-21-17(22)15-8-2-1-7-14(15)16(20-21)12-5-3-6-13(19)11-12/h1-3,5-8,11H,4,9-10H2
InChIKeyZAMBVZOFZKNKPT-UHFFFAOYSA-N
XLogP3.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.76
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-dichloro-2-(3-chloropropyl)-4-phenylphthalazin-1-one
CID 142711544
2-(4-chlorobutyl)-4-(4-chlorophenyl)phthalazin-1-one
CID 142711589
2-butyl-4-(3-chlorophenyl)phthalazin-1-one
CID 86166030
2-(3-chloropropyl)-4-(furan-2-yl)phthalazin-1-one
CID 142713116
1-[3-[3-[(4-fluorophenyl)methyl]-4-oxophthalazin-1-yl]phenyl]ethanesulfonamide
CID 175387641
2-(3-chloropropyl)-4-(diethylamino)phthalazin-1-one
CID 142713782
4-[3-(aminomethyl)phenyl]-2-benzylphthalazin-1-one;hydrochloride
CID 157040231
4-(1-oxo-4-pyridin-3-ylphthalazin-2-yl)butanoyl chloride
CID 10314393
dimethyl-[2-(1-oxo-4-phenylphthalazin-2-yl)ethyl]azanium chloride
CID 43834263
4-(3,4-difluorophenyl)-2-(2-methylpropyl)phthalazin-1-one
CID 78881007
2-(3-chloropropyl)-4-phenylpyridazin-3-one
CID 156791318
4-pyridin-3-yl-2-(2-pyrimidin-2-ylsulfanylethyl)phthalazin-1-one
CID 10021488

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one?
The IUPAC name of 2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one (CID 142711548) is 2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one.
What is the SMILES notation for 2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one?
The canonical SMILES for 2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one is O=c1c2ccccc2c(-c2cccc(F)c2)nn1CCCCl.
What is the InChIKey of 2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one?
The InChIKey is ZAMBVZOFZKNKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN2O/c18-9-4-10-21-17(22)15-8-2-1-7-14(15)16(20-21)12-5-3-6-13(19)11-12/h1-3,5-8,11H,4,9-10H2.
What are the key properties of 2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one?
2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one has a molecular weight of 316.76 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-4-(3-fluorophenyl)phthalazin-1-one is sourced from PubChem (CID 142711548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).