3-(3-Carbomethoxy-2-bromoanilino)cyclohex-2-en-1-one

HCID 22337724
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Basic information

Standard SMILES
COC(=O)c1cccc(NC2=CC(=O)CCC2)c1Br
InChIKey
ZBSOAAIJVOCBEH-UHFFFAOYSA-N
Molecular formula
C14H14BrNO3
Average molar mass
324.17 g/mol

Names & identifiers

Preferred name
3-(3-Carbomethoxy-2-bromoanilino)cyclohex-2-en-1-one
IUPAC
methyl 2-bromo-3-[(3-oxocyclohexen-1-yl)amino]benzoate

Names & synonyms

3-(3-carbomethoxy-2-bromoanilino)cyclohex-2-en-1-oneSCHEMBL5208100ZBSOAAIJVOCBEH-UHFFFAOYSA-N246513-41-7DB-217627methyl 2-bromo-3-(3-oxocyclohex-1-enylamino)benzoatemethyl 2-bromo-3-((3-oxocyclohex-1-en-1-yl)amino)benzoate

Database identifiers

PubChem CID
22337724

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
55.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
19

Related reactions

6 records
New reaction record

Compound notes

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