5-bromo-N,N-diethyl-2-(2-fluoropyridin-3-yloxy)benzamide

HCID 66728294

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCN(CC)C(=O)c1cc(Br)ccc1Oc1cccnc1F
InChIKey: JAMMDNBXSFGMFL-UHFFFAOYSA-N
Molecular formula: C16H16BrFN2O2
Average molar mass: 367.21 g/mol

Names & identifiers

Preferred name: 5-bromo-N,N-diethyl-2-(2-fluoropyridin-3-yloxy)benzamide
IUPAC: 5-bromo-N,N-diethyl-2-[(2-fluoro-3-pyridinyl)oxy]benzamide

Names & synonyms

5-bromo-N,N-diethyl-2-(2-fluoropyridin-3-yloxy)benzamide1215868-71-5SCHEMBL571261JAMMDNBXSFGMFL-UHFFFAOYSA-NDB-325278

Database identifiers

PubChem CID: 66728294

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 42.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 368

Related reactions

12 records

New reaction record

HRID 335792As productuspto-grants-2014_11

HRID 335793As reactantuspto-grants-2014_11

HRID 529423As productuspto-grants-2016_05

HRID 529424As reactantuspto-grants-2016_05

HRID 684691As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1409500As productuspto-grants-2014_12

HRID 1409501As reactantuspto-grants-2014_12

HRID 1566647As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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