Basic information
- CAS
26844-07-5- Standard SMILES
O=C(NC1=CCCN(CCc2c[nH]c3ccccc23)C1)c1ccccc1- InChIKey
LPCIOXVVMFBULX-UHFFFAOYSA-N- Molecular formula
- C22H23N3O
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.18411237
Names & identifiers
- Preferred name
- Benzamide, N-(1,2,5,6-tetrahydro-1-(2-indol-3-ylethyl)-3-pyridyl)-
- IUPAC
- N-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-5-yl]benzamide
Names & synonyms
BRN 0495468N-(1,2,5,6-Tetrahydro-1-(2-indol-3-ylethyl)-3-pyridyl)benzamide26844-07-5Benzamide, N-(1,2,5,6-tetrahydro-1-(2-indol-3-ylethyl)-3-pyridyl)-RefChem:322084DTXSID20949629N-{1-[2-(1H-Indol-3-yl)ethyl]-1,2,5,6-tetrahydropyridin-3-yl}benzenecarboximidic acid
Database identifiers
- CAS
26844-07-5- PubChem CID
- 213615
- DTXSID
DTXSID20949629
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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