3-(4-fluoro-phenylmethyl)-1-methyl-1H-indole-5-carboxylic acid methyl ester

HCID 69449552
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)c1ccc2c(c1)c(Cc1ccc(F)cc1)cn2C
InChIKey
TXUGXAPNCASFLP-UHFFFAOYSA-N
Molecular formula
C18H16FNO2
Average molar mass
297.3 g/mol
Monoisotopic mass
297.11650692

Names & identifiers

Preferred name
3-(4-fluoro-phenylmethyl)-1-methyl-1H-indole-5-carboxylic acid methyl ester
IUPAC
methyl 3-[(4-fluorophenyl)methyl]-1-methylindole-5-carboxylate

Names & synonyms

SCHEMBL5458138TXUGXAPNCASFLP-UHFFFAOYSA-N3-(4-fluoro-phenylmethyl)-1-methyl-1H-indole-5-carboxylic acid methyl ester

Database identifiers

PubChem CID
69449552

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
31.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
22

Related reactions

7 records
New reaction record

Compound notes

Loading…