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(4-Bromophenyl)[4-(4-chlorobenzoyl)piperidin-1-yl]methanone

HCID 58484497
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(Br)cc2)CC1
InChIKey
FIYSOPDOHUIPKX-UHFFFAOYSA-N
Molecular formula
C19H17BrClNO2
Average molar mass
406.7 g/mol
Monoisotopic mass
405.01312

Names & identifiers

Preferred name
(4-Bromophenyl)[4-(4-chlorobenzoyl)piperidin-1-yl]methanone
IUPAC
[1-(4-bromobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone

Names & synonyms

CHEMBL4786001SCHEMBL2545892FIYSOPDOHUIPKX-UHFFFAOYSA-NBDBM50550316(4-bromophenyl)[4-(4-chlorobenzoyl)piperidin-1-yl]methanone

Database identifiers

PubChem CID
58484497
ChEMBL
CHEMBL4786001

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
24
Formal charge
0
Complexity
448

Related reactions

4 records
New reaction record
HRID 198256 reaction equation
HRID 198256As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 825128 reaction equation
HRID 825128As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1803966 reaction equation
HRID 1803966As productuspto-grants-2013_01
HRID 1804174 reaction equation
HRID 1804174As reactantuspto-grants-2013_01

Compound notes

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