F0651-0220
Basic information
- CAS
6259-52-5- Standard SMILES
Cc1cc2cc(CNC(=O)Cc3ccc([N+](=O)[O-])cc3)ccc2n1C- InChIKey
YZGBPEZHIPIMSA-UHFFFAOYSA-N- Molecular formula
- C19H19N3O3
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.14264148
Overview
N-[(1,2-dimethyl-5-indolyl)methyl]-2-(4-nitrophenyl)acetamide is a member of indoles.
Names & identifiers
- Preferred name
- F0651-0220
- IUPAC
- N-[(1,2-dimethylindol-5-yl)methyl]-2-(4-nitrophenyl)acetamide
Names & synonyms
6259-52-5F0651-0220DTXSID90411262RefChem:345355DTXCID40362114N-[(1,2-dimethyl-5-indolyl)methyl]-2-(4-nitrophenyl)acetamideN-[(1,2-dimethylindol-5-yl)methyl]-2-(4-nitrophenyl)acetamideN-[(1,2-dimethyl-1H-indol-5-yl)methyl]-2-(4-nitrophenyl)acetamide852137-72-5N-((1,2-dimethyl-1H-indol-5-yl)methyl)-2-(4-nitrophenyl)acetamideMLS000420132CHEMBL1603656
Show more names
CHEBI:106018HMS2692K20SMSSF-0059556AKOS024591994SMR000319978SR-01000130410SR-01000130410-1Q27183817
Database identifiers
- CAS
6259-52-5- PubChem CID
- 5223767
- DTXSID
DTXSID90411262- ChEMBL
CHEMBL1603656- ChEBI
CHEBI:106018
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 485
Experimental & physicochemical properties
Solubility0.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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