Basic information
- Standard SMILES
CCCC(=O)Nc1cc([N+](=O)[O-])ccc1C#Cc1ccccc1- InChIKey
NYOKVUKRQYSTQM-UHFFFAOYSA-N- Molecular formula
- C18H16N2O3
- Average molar mass
- 308.3 g/mol
Names & identifiers
- Preferred name
- N-(5-Nitro-2-(phenylethynyl)phenyl)butyramide
- IUPAC
- N-[5-nitro-2-(2-phenylethynyl)phenyl]butanamide
Names & synonyms
SCHEMBL2249880NYOKVUKRQYSTQM-UHFFFAOYSA-NN-(5-Nitro-2-(phenylethynyl)phenyl)butyramide
Database identifiers
- PubChem CID
- 11358741
- Nikkaji
- J2.102.897E
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 479
Related reactions
5 records
Compound notes
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