N-[3-(3-Methyl-1H-indol-1-yl)propyl]-3,5-dinitrobenzamide
Basic information
- CAS
69924-45-4- Standard SMILES
Cc1cn(CCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2ccccc12- InChIKey
WCWRXJVFMSRLSV-UHFFFAOYSA-N- Molecular formula
- C19H18N4O5
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.12771969
Names & identifiers
- Preferred name
- N-[3-(3-Methyl-1H-indol-1-yl)propyl]-3,5-dinitrobenzamide
- IUPAC
- N-[3-(3-methylindol-1-yl)propyl]-3,5-dinitrobenzamide
- English name
- N-[3-(3-methyl-1H-indol-1-yl)propyl]-3,5-dinitrobenzamide
- Molecular formula
- C19H18N4O5
- Molecular weight
- 382.37
Names & synonyms
N-[3-(3-Methyl-1H-indol-1-yl)propyl]-3,5-dinitrobenzamideN-(3-(3-methyl-1H-indol-1-yl)propyl)-3,5-dinitrobenzamide69924-45-4WCWRXJVFMSRLSV-UHFFFAOYSA-NDTXSID701346214STL062438AKOS000491102Q633955511-(3-(3,5-Dinitrobenzoylamino)propyl)-3-methylindoleBenzamide, N-[3-(3-methyl-1H-indol-1-yl)propyl]-3,5-dinitro-N-(3-(3-METHYL-1-INDOLYL)PROPYL)-3,5-DINITROBENZAMIDEN-[3-(3-Methyl-1H-indol-1-yl)propyl]-3,5-dinitrobenzamide #
Database identifiers
- CAS
69924-45-4- PubChem CID
- 633360
- DTXSID
DTXSID701346214- Nikkaji
- J182.490B
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 568
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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