N-(2-(5-bromo-1H-indol-3-yl)ethyl)-5-(2,5-difluorobenzyl)isoxazole-3-carboxamide

HCID 66831747
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Basic information

Standard SMILES
O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cc(Cc2cc(F)ccc2F)on1
InChIKey
JXHNQXBXFPWHQY-UHFFFAOYSA-N
Molecular formula
C21H16BrF2N3O2
Average molar mass
460.3 g/mol

Names & identifiers

Preferred name
N-(2-(5-bromo-1H-indol-3-yl)ethyl)-5-(2,5-difluorobenzyl)isoxazole-3-carboxamide
IUPAC
N-[2-(5-bromo-1H-indol-3-yl)ethyl]-5-[(2,5-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide

Names & synonyms

SCHEMBL892038JXHNQXBXFPWHQY-UHFFFAOYSA-NN-(2-(5-bromo-1H-indol-3-yl)ethyl)-5-(2,5-difluorobenzyl)isoxazole-3-carboxamide

Database identifiers

PubChem CID
66831747

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
70.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

Related reactions

6 records
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Linked notes

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