1-[(3-Bromophenyl)methyl]-2-methyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile

HCID 67405035
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Basic information

Standard SMILES
Cc1cc2c(C(F)(F)F)c(C#N)ccc2n1Cc1cccc(Br)c1
InChIKey
QMDXCXWZCDBWEJ-UHFFFAOYSA-N
Molecular formula
C18H12BrF3N2
Average molar mass
393.2 g/mol
Monoisotopic mass
392.0136

Names & identifiers

Preferred name
1-[(3-Bromophenyl)methyl]-2-methyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile
IUPAC
1-[(3-bromophenyl)methyl]-2-methyl-4-(trifluoromethyl)indole-5-carbonitrile

Names & synonyms

1-[(3-Bromophenyl)methyl]-2-methyl-4-(trifluoromethyl)-1H-indole-5-carbonitrileSCHEMBL2430966

Database identifiers

PubChem CID
67405035

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
28.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
24

Related reactions

15 records
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Compound notes

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