4-Chloro-3-cyanomethyl-indole-1-carboxylic acid methylamide

HCID 23589051
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Basic information

Standard SMILES
CNC(=O)n1cc(CC#N)c2c(Cl)cccc21
InChIKey
VBFOQESHWUPBIM-UHFFFAOYSA-N
Molecular formula
C12H10ClN3O
Average molar mass
247.68 g/mol
Monoisotopic mass
247.0512396

Names & identifiers

Preferred name
4-Chloro-3-cyanomethyl-indole-1-carboxylic acid methylamide
IUPAC
4-chloro-3-(cyanomethyl)-N-methylindole-1-carboxamide

Names & synonyms

SCHEMBL4718308VBFOQESHWUPBIM-UHFFFAOYSA-N4-chloro-3-cyanomethyl-indole-1-carboxylic acid methylamide

Database identifiers

PubChem CID
23589051

Properties

Computed structural properties

XLogP
2
Topological polar surface area
57.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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