Basic information
- CAS
26844-06-4- Standard SMILES
O=C(NC1=CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1- InChIKey
DPNACOMMNOXPKC-UHFFFAOYSA-N- Molecular formula
- C22H23N3O
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.18411237
Names & identifiers
- Preferred name
- Benzamide, N-(1,2,3,6-tetrahydro-1-(2-indol-3-ylethyl)-3-pyridyl)-
- IUPAC
- N-[1-[2-(1H-indol-3-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]benzamide
- English name
- Benzamide, N-[1,2,3,6-tetrahydro-1-[2-(1H-indol-3-yl)ethyl]-4-pyridinyl]-
- Molecular formula
- C22H23N3O
- Molecular weight
- 345.44
Names & synonyms
Benzamide, N-(1,2,3,6-tetrahydro-1-(2-indol-3-ylethyl)-3-pyridyl)-26844-06-4BRN 04968103-(2-(4-Benzamido-1,2,5,6-tetrahydropyrid-1-yl)ethyl)indoleN-(1,2,3,6-Tetrahydro-1-(2-indol-3-ylethyl)-3-pyridyl)benzamiden-{1-[2-(1h-indol-3-yl)ethyl]-1,2,3,6-tetrahydropyridin-4-yl}benzamideSCHEMBL11508628DTXSID10181334N-{1-[2-(1H-indol-3-yl)ethyl]-1,2,3,6-tetrahydro-4-pyridinyl}benzamideBenzamide, N-[1,2,3,6-tetrahydro-1-[2-(1H-indol-3-yl)ethyl]-4-pyridinyl]-
Database identifiers
- CAS
26844-06-4- PubChem CID
- 213614
- DTXSID
DTXSID10181334
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
Physicochemical properties
- Melting point
- 209 · 209-211 °C(Solv: methanol (67-56-1))
- Boiling point
- 611.3 · 611.3±55.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 14.15 · 14.15±0.20(Predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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