Methyl 1-(1-oxo-6-(4-(4-(trifluoromethyl)benzamido)phenyl)isoindolin-2-yl)cyclobutanecarboxylate

HCID 53303003
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Basic information

Standard SMILES
COC(=O)C1(N2Cc3ccc(-c4ccc(NC(=O)c5ccc(C(F)(F)F)cc5)cc4)cc3C2=O)CCC1
InChIKey
VXBHWPKNPFDPEV-UHFFFAOYSA-N
Molecular formula
C28H23F3N2O4
Average molar mass
508.5 g/mol
Monoisotopic mass
508.16099171

Names & identifiers

Preferred name
Methyl 1-(1-oxo-6-(4-(4-(trifluoromethyl)benzamido)phenyl)isoindolin-2-yl)cyclobutanecarboxylate
IUPAC
methyl 1-[3-oxo-5-[4-[[4-(trifluoromethyl)benzoyl]amino]phenyl]-1H-isoindol-2-yl]cyclobutane-1-carboxylate

Names & synonyms

Methyl 1-(1-oxo-6-(4-(4-(trifluoromethyl)benzamido)phenyl)isoindolin-2-yl)cyclobutanecarboxylateSCHEMBL2180858

Database identifiers

PubChem CID
53303003

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
75.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
37

Related reactions

2 records
New reaction record

Linked notes

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