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Basic information
- Standard SMILES
Cc1cc(C)cc(-c2[nH]c3ccc([N+](=O)[O-])cc3c2CCNC(=O)c2ccccc2)c1- InChIKey
HCAFPFCYOHPLLJ-UHFFFAOYSA-N- Molecular formula
- C25H23N3O3
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.1739416
Names & identifiers
- Preferred name
- N-{2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl}benzamide
- IUPAC
- N-[2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl]benzamide
Names & synonyms
SCHEMBL6981037HCAFPFCYOHPLLJ-UHFFFAOYSA-NN-{2-[2-(3,5-dimethylphenyl)-5-nitro-1H-indol-3-yl]ethyl}benzamide
Database identifiers
- PubChem CID
- 21249902
Properties
Computed structural propertiesFilling in
- XLogP
- 5.5
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 620
Related reactions
4 records
Compound notes
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