5-Chloro-1-[3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]-1-pentanone

HCID 21887301
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Basic information

Standard SMILES
O=C(CCCCCl)c1ccc2c(c1)CCN(C(=O)C(F)(F)F)CC2
InChIKey
NQCQXBLESKOUGU-UHFFFAOYSA-N
Molecular formula
C17H19ClF3NO2
Average molar mass
361.8 g/mol

Names & identifiers

Preferred name
5-Chloro-1-[3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]-1-pentanone
IUPAC
5-chloro-1-[3-(2,2,2-trifluoroacetyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]pentan-1-one

Names & synonyms

5-Chloro-1-[3-(trifluoroacetyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl]-1-pentanoneSCHEMBL4858111

Database identifiers

PubChem CID
21887301

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
24

Related reactions

4 records
New reaction record

Compound notes

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