(1R,2S,3R,5R,6R)-2-amino-2-cyano-3-[(3,4-dichloro benzyl)oxy]-6-fluoro bicyclo[3.1.0]hexane-6-carboxamide

HCID 53236629
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Basic information

Standard SMILES
N#C[C@@]1(N)[C@H]2[C@@H](C[C@H]1OCc1ccc(Cl)c(Cl)c1)[C@]2(F)C(N)=O
InChIKey
XJMVDVMFQOSZDL-MBPKRTKESA-N
Molecular formula
C15H14Cl2FN3O2
Average molar mass
358.2 g/mol

Names & identifiers

Preferred name
(1R,2S,3R,5R,6R)-2-amino-2-cyano-3-[(3,4-dichloro benzyl)oxy]-6-fluoro bicyclo[3.1.0]hexane-6-carboxamide
IUPAC
(1R,2S,3R,5R,6R)-2-amino-2-cyano-3-[(3,4-dichlorophenyl)methoxy]-6-fluorobicyclo[3.1.0]hexane-6-carboxamide

Names & synonyms

SCHEMBL6847057XJMVDVMFQOSZDL-MBPKRTKESA-N(1R,2S,3R,5R,6R)-2-amino-2-cyano-3-[(3,4-dichloro benzyl)oxy]-6-fluoro bicyclo[3.1.0]hexane-6-carboxamide

Database identifiers

PubChem CID
53236629

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
102 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
23

Related reactions

5 records
New reaction record

Linked notes

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