N-(2,6-Dibromophenyl)-6,11-dihydro-2-methyldibenz[b,e]-oxepin-11-carboxamide

HCID 10435533
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Basic information

Standard SMILES
Cc1ccc2c(c1)C(C(=O)Nc1c(Br)cccc1Br)c1ccccc1CO2
InChIKey
DESUQKQHSZBCCF-UHFFFAOYSA-N
Molecular formula
C22H17Br2NO2
Average molar mass
487.2 g/mol
Monoisotopic mass
484.9626

Names & identifiers

Preferred name
N-(2,6-Dibromophenyl)-6,11-dihydro-2-methyldibenz[b,e]-oxepin-11-carboxamide
IUPAC
N-(2,6-dibromophenyl)-2-methyl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxamide

Names & synonyms

CHEMBL353227SCHEMBL8798872DESUQKQHSZBCCF-UHFFFAOYSA-NBDBM500408452-Methyl-6,11-dihydro-dibenzo[b,e]oxepine-11-carboxylic acid (2,6-dibromo-phenyl)-amideN-(2,6-Dibromophenyl)-6,11-dihydro-2-methyldibenz[b,e]-oxepin-11-carboxamide

Database identifiers

PubChem CID
10435533
ChEMBL
CHEMBL353227
Nikkaji
J581.040J

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
27

Related reactions

2 records
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Compound notes

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