[5-(5,6-Difluoro-1H-indol-2-yl)-2-methoxy-phenyl]-(4-cyano-benzyl)-amine

HCID 10134907

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NCc1ccc(C#N)cc1
InChIKey: LWKAANUZUJTVHI-UHFFFAOYSA-N
Molecular formula: C23H17F2N3O
Average molar mass: 389.4 g/mol

Names & identifiers

Preferred name: [5-(5,6-Difluoro-1H-indol-2-yl)-2-methoxy-phenyl]-(4-cyano-benzyl)-amine
IUPAC: 4-[[5-(5,6-difluoro-1H-indol-2-yl)-2-methoxyanilino]methyl]benzonitrile

Names & synonyms

SCHEMBL6496748LWKAANUZUJTVHI-UHFFFAOYSA-N[5-(5,6-Difluoro-1H-indol-2-yl)-2-methoxy-phenyl]-(4cyano-benzyl)-amine[5-(5,6-Difluoro-1H-indol-2-yl)-2-methoxy-phenyl]-(4-cyano-benzyl)-amine

Database identifiers

PubChem CID: 10134907

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 60.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 29
Formal charge: 0
Complexity: 588

Related reactions

2 records

New reaction record

HRID 25531As productuspto-grants-2005_02

HRID 149404As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Compound notes

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