N-[4-[3-(4-nitrophenyl)-3-oxoprop-1-enyl]phenyl]acetamide
Basic information
- CAS
27861-33-2- Standard SMILES
CC(=O)Nc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1- InChIKey
JGIAYVYSCKASJR-UHFFFAOYSA-N- Molecular formula
- C17H14N2O4
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.09535693
Names & identifiers
- Preferred name
- N-[4-[3-(4-nitrophenyl)-3-oxoprop-1-enyl]phenyl]acetamide
- IUPAC
- N-[4-[3-(4-nitrophenyl)-3-oxoprop-1-enyl]phenyl]acetamide
Names & synonyms
27861-33-2MLS003106602N-[4-[3-(4-nitrophenyl)-3-oxoprop-1-enyl]phenyl]acetamideCHEMBL2356853DTXSID20304618SMR001821495N-{4-[3-(4-Nitrophenyl)-3-oxoprop-1-en-1-yl]phenyl}acetamide
Database identifiers
- CAS
27861-33-2- PubChem CID
- 296375
- DTXSID
DTXSID20304618- ChEMBL
CHEMBL2356853
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 92 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 467
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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