Basic information
- Standard SMILES
O=C1C=C(N(Cc2ccccc2)Cc2ccc(Cl)nc2)CO1- InChIKey
AJEXHIZRGVQMIZ-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O2
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.0822054
Names & identifiers
- Preferred name
- 4-{benzyl[(6-chloropyridin-3-yl)methyl]amino}furan-2(5H)-one
- IUPAC
- 3-[benzyl-[(6-chloro-3-pyridinyl)methyl]amino]-2H-furan-5-one
Names & synonyms
SCHEMBL3025243AJEXHIZRGVQMIZ-UHFFFAOYSA-N4-{benzyl[(6-chloropyridin-3-yl)methyl]amino}furan-2(5H)-one
Database identifiers
- PubChem CID
- 86644239
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Related reactions
2 records
Compound notes
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