3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide

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Basic information

CAS: 22174-00-1
Standard SMILES: O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(Cl)c1
InChIKey: VPXFQXYYNWTVCG-UHFFFAOYSA-N
Molecular formula: C17H14Cl2N2O
Average molar mass: 333.2 g/mol
Monoisotopic mass: 332.0483185

Names & identifiers

Preferred name: 3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
IUPAC: 3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide

Names & synonyms

3,4-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide22174-00-1N-(2-(1H-Indol-3-yl)ethyl)-3,4-dichlorobenzamideCHEMBL4539506DTXSID50406694STL174404AKOS001104521NCGC00315147-01ST45103879AB01310031-01Z26395484(3,4-dichlorophenyl)-N-(2-indol-3-ylethyl)carboxamide

Database identifiers

CAS: 22174-00-1
PubChem CID: 4879936
DTXSID: DTXSID50406694
ChEMBL: CHEMBL4539506

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 44.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 393

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Compound notes

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