1-[(5-Bromo-2-furanyl)methyl]-2-cyclopropyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile

HCID 67404993
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Basic information

Standard SMILES
N#Cc1ccc2c(cc(C3CC3)n2Cc2ccc(Br)o2)c1C(F)(F)F
InChIKey
IODFFDDLORWDNJ-UHFFFAOYSA-N
Molecular formula
C18H12BrF3N2O
Average molar mass
409.2 g/mol

Names & identifiers

Preferred name
1-[(5-Bromo-2-furanyl)methyl]-2-cyclopropyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile
IUPAC
1-[(5-bromofuran-2-yl)methyl]-2-cyclopropyl-4-(trifluoromethyl)indole-5-carbonitrile

Names & synonyms

1-[(5-Bromo-2-furanyl)methyl]-2-cyclopropyl-4-(trifluoromethyl)-1H-indole-5-carbonitrileSCHEMBL2430859

Database identifiers

PubChem CID
67404993

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
41.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
25

Related reactions

18 records
New reaction record

Compound notes

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1-[(5-Bromo-2-furanyl)methyl]-2-cyclopropyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile (HCID 67404993)｜Huagongshe