5-[(3,4-Dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzonitrile

C₁₆H₁₀FN₃OCAS 1021298-68-9279.27 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Phenol

Properties

Molecular formula: C₁₆H₁₀FN₃O
Molar mass: 279.27 g/mol
Exact mass: 279.0808 Da
logP: 2.94Crippen estimate
Polar surface area: 69.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

1021298-68-9

SMILES

N#Cc1cc(Cc2nnc(O)c3ccccc23)ccc1F

InChIKey

LCPWJQRZOHAMOZ-UHFFFAOYSA-N

InChI

InChI=1S/C16H10FN3O/c17-14-6-5-10(7-11(14)9-18)8-15-12-3-1-2-4-13(12)16(21)20-19-15/h1-7H,8H2,(H,20,21)

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Names and synonyms

3 names

Benzonitrile, 5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluoro-
2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzonitrile
2-Fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]benzonitrile

Work with 5-[(3,4-Dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoic acid763114-26-760 % similar 5-(3,5-Difluorobenzyl)-2-fluorobenzonitrile1108745-25-050 % similar Olaparib763113-22-049 % similar 2,5-Difluorobenzonitrile64248-64-239 % similar 2,3-Dihydro-1,4-phthalazinedione1445-69-839 % similar 5-Bromo-2-fluorobenzonitrile179897-89-338 % similar 2-Fluoro-5-iodobenzonitrile351003-36-638 % similar 5-Amino-2-fluorobenzonitrile53312-81-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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