3-cyano-5-fluoro-N-(6-propylpyridin-2-yl)benzamide

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Basic information

CAS: 1309921-00-3
Standard SMILES: CCCc1cccc(NC(=O)c2cc(F)cc(C#N)c2)n1
InChIKey: UXIALOMGVLZUED-UHFFFAOYSA-N
Molecular formula: C16H14FN3O
Average molar mass: 283.3 g/mol
Monoisotopic mass: 283.11209024

Names & identifiers

Preferred name: 3-cyano-5-fluoro-N-(6-propylpyridin-2-yl)benzamide
IUPAC: 3-cyano-5-fluoro-N-(6-propyl-2-pyridinyl)benzamide

Names & synonyms

CHEMBL17712683-cyano-5-fluoro-N-(6-propylpyridin-2-yl)benzamideDTXSID801214002BDBM503427351309921-00-3Benzamide, 3-cyano-5-fluoro-N-(6-propyl-2-pyridinyl)-

Database identifiers

CAS: 1309921-00-3
PubChem CID: 54585448
DTXSID: DTXSID801214002
ChEMBL: CHEMBL1771268

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 65.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 406

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Compound notes

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