2-methyl-1-[(S)-1-(tetrahydro-furan-2-yl)methyl]-5-(2-trifluoromethoxy-phenyl)-1H-pyrrole-3-carboxylic acid cyclohexylamide

HCID 11619313
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1c(C(=O)NC2CCCCC2)cc(-c2ccccc2OC(F)(F)F)n1C[C@@H]1CCCO1
InChIKey
VZFHVIOETXDNNR-SFHVURJKSA-N
Molecular formula
C24H29F3N2O3
Average molar mass
450.5 g/mol
Monoisotopic mass
450.21302728

Names & identifiers

Preferred name
2-methyl-1-[(S)-1-(tetrahydro-furan-2-yl)methyl]-5-(2-trifluoromethoxy-phenyl)-1H-pyrrole-3-carboxylic acid cyclohexylamide
IUPAC
N-cyclohexyl-2-methyl-1-[[(2S)-oxolan-2-yl]methyl]-5-[2-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide

Names & synonyms

2-methyl-1-[(S)-1-(tetrahydro-furan-2-yl)methyl]-5-(2-trifluoromethoxy-phenyl)-1H-pyrrole-3-carboxylic acid cyclohexylamideSCHEMBL4371244

Database identifiers

PubChem CID
11619313

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
52.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
32

Related reactions

1 records
New reaction record

Compound notes

Loading…