3-(5,5-Dimethyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-5-fluorobenzonitrile

HCID 11232136
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Basic information

Standard SMILES
CC1(C)OCC(=O)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21
InChIKey
OFVNFLUJGDNPPM-UHFFFAOYSA-N
Molecular formula
C18H15FN2O2
Average molar mass
310.3 g/mol
Monoisotopic mass
310.11175589

Names & identifiers

Preferred name
3-(5,5-Dimethyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-5-fluorobenzonitrile
IUPAC
3-(5,5-dimethyl-2-oxo-1H-4,1-benzoxazepin-7-yl)-5-fluorobenzonitrile

Names & synonyms

CHEMBL4877283-(5,5-Dimethyl-2-oxo-1,2,3,5-tetrahydro-4,1-benzoxazepin-7-yl)-5-fluorobenzonitrileSCHEMBL3991212OFVNFLUJGDNPPM-UHFFFAOYSA-NBDBM50270575

Database identifiers

PubChem CID
11232136
ChEMBL
CHEMBL487728

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
62.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
23

Related reactions

3 records
New reaction record

Compound notes

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