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4-(trifluoromethoxy)benzyl 1H-indol-4-ylcarbamate

HCID 9975152
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Nc1cccc2[nH]ccc12)OCc1ccc(OC(F)(F)F)cc1
InChIKey
ZBFLPSBCMUAIEL-UHFFFAOYSA-N
Molecular formula
C17H13F3N2O3
Average molar mass
350.29 g/mol

Names & identifiers

Preferred name
4-(trifluoromethoxy)benzyl 1H-indol-4-ylcarbamate
IUPAC
[4-(trifluoromethoxy)phenyl]methyl N-(1H-indol-4-yl)carbamate

Names & synonyms

4-(trifluoromethoxy)benzyl 1H-indol-4-ylcarbamateSCHEMBL4023298

Database identifiers

PubChem CID
9975152

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
63.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
25
Formal charge
0
Complexity
453

Related reactions

5 records
New reaction record
HRID 585954 reaction equation
HRID 585954As productuspto-grants-2005_08
HRID 667158 reaction equation
HRID 667158As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 887223 reaction equation
HRID 887223As productuspto-grants-2012_08
HRID 1791324 reaction equation
HRID 1791324As productuspto-grants-2006_07
HRID 2056841 reaction equation
HRID 2056841As productuspto-grants-2008_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes