Basic information
- Standard SMILES
CN(C(=O)Cc1cc(Cl)c(Cl)cc1[N+](=O)[O-])[C@H](CN1CCCC1)c1cccc([N+](=O)[O-])c1- InChIKey
QRMMUQHXOUSRQK-HXUWFJFHSA-N- Molecular formula
- C21H22Cl2N4O5
- Average molar mass
- 481.3 g/mol
- Monoisotopic mass
- 480.0967252
Names & identifiers
- Preferred name
- 2-(2-Nitro-4,5-dichlorophenyl)-N-methyl-N-[(1S)-1-(3-nitrophenyl)-2-(1-pyrrolidinyl)ethyl]acetamide
- IUPAC
- 2-(4,5-dichloro-2-nitrophenyl)-N-methyl-N-[(1S)-1-(3-nitrophenyl)-2-pyrrolidin-1-ylethyl]acetamide
Names & synonyms
SCHEMBL5631266QRMMUQHXOUSRQK-HXUWFJFHSA-N2-(2-Nitro-4,5-dichlorophenyl)-N-methyl-N-[(1S)-1-(3-nitrophenyl)-2-(1-pyrrolidinyl) ethyl]acetamide2-(2-Nitro-4,5-dichlorophenyl)-N-methyl-N-[(1S)-1-(3-nitrophenyl)-2-(1-pyrrolidinyl)ethyl]acetamide
Database identifiers
- PubChem CID
- 11420249
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 682
Related reactions
1 records
Compound notes
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