4-[(1-Cyanocyclobutyl)amino]-2-fluoro-N-methylbenzamide

C₁₃H₁₄FN₃OCAS 915087-26-2247.27 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Secondary amine

Properties

Molecular formula: C₁₃H₁₄FN₃O
Molar mass: 247.27 g/mol
Exact mass: 247.1121 Da
logP: 2.62Crippen estimate
Polar surface area: 68.4 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

915087-26-2

SMILES

CN=C(O)c1ccc(NC2(C#N)CCC2)cc1F

InChIKey

AAIGLIMPDRXLFW-UHFFFAOYSA-N

InChI

InChI=1S/C13H14FN3O/c1-16-12(18)10-4-3-9(7-11(10)14)17-13(8-15)5-2-6-13/h3-4,7,17H,2,5-6H2,1H3,(H,16,18)

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Names and synonyms

2 names

Benzamide, 4-[(1-cyanocyclobutyl)amino]-2-fluoro-N-methyl-
N-Methyl-4-(1-cyanocyclobutylamino)-2-fluorobenzamide

Work with 4-[(1-Cyanocyclobutyl)amino]-2-fluoro-N-methylbenzamide

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

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

Elsewhere

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