2-(1-(4-chlorobenzyl)-1H-indol-3-yl)-2-oxo-acetyl chloride

HCID 10980477

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(Cl)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIKey: USNYBYHFYRBYOM-UHFFFAOYSA-N
Molecular formula: C17H11Cl2NO2
Average molar mass: 332.2 g/mol

Names & identifiers

Preferred name: 2-(1-(4-chlorobenzyl)-1H-indol-3-yl)-2-oxo-acetyl chloride
IUPAC: 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride

Names & synonyms

SCHEMBL6086011USNYBYHFYRBYOM-UHFFFAOYSA-NAKOS0159958802-(1-(4-chlorobenzyl)-1H-indol-3-yl)-2-oxo-acetyl chloride

Database identifiers

PubChem CID: 10980477
Nikkaji: J1.632.421C

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 39.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 434

Related reactions

7 records

New reaction record

HRID 353473As productuspto-grants-2004_06

HRID 353474As reactantuspto-grants-2004_06

HRID 353475As reactantuspto-grants-2004_06

HRID 817119As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1207209As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1611404As productuspto-grants-2006_01

HRID 2346368As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…