1-[4-Acetylamino-5-bromo-2-(3,5-dimethoxybenzyloxy)phenyl]-5-bromopentan-1-one

HCID 19081955
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Basic information

Standard SMILES
COc1cc(COc2cc(NC(C)=O)c(Br)cc2C(=O)CCCCBr)cc(OC)c1
InChIKey
RFOSGLQNMQRBHJ-UHFFFAOYSA-N
Molecular formula
C22H25Br2NO5
Average molar mass
543.2 g/mol

Names & identifiers

Preferred name
1-[4-Acetylamino-5-bromo-2-(3,5-dimethoxybenzyloxy)phenyl]-5-bromopentan-1-one
IUPAC
N-[2-bromo-4-(5-bromopentanoyl)-5-[(3,5-dimethoxyphenyl)methoxy]phenyl]acetamide

Names & synonyms

SCHEMBL7351725RFOSGLQNMQRBHJ-UHFFFAOYSA-N1-[4-acetylamino-5-bromo-2-(3,5-dimethoxybenzyloxy)phenyl]-5-bromopentan-1-one

Database identifiers

PubChem CID
19081955

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
73.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
11
Heavy atoms
30

Related reactions

2 records
New reaction record

Linked notes

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