4-[(4-Nitrophenyl)carbamoyl]phenyl propanoate
Basic information
- CAS
690989-64-1- Standard SMILES
CCC(=O)Oc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
PTIAZSFGTYZTCC-UHFFFAOYSA-N- Molecular formula
- C16H14N2O5
- Average molar mass
- 314.29 g/mol
- Monoisotopic mass
- 314.09027155
Names & identifiers
- Preferred name
- 4-[(4-Nitrophenyl)carbamoyl]phenyl propanoate
- IUPAC
- [4-[(4-nitrophenyl)carbamoyl]phenyl] propanoate
Names & synonyms
MLS0006748504-[(4-nitrophenyl)carbamoyl]phenyl propanoate4-{[(4-nitrophenyl)amino]carbonyl}phenyl propionateSMR000291899690989-64-1Opera_ID_415[4-[(4-nitrophenyl)carbamoyl]phenyl] propanoateCHEMBL1601808DTXSID801263354HMS2703O13STK266372AKOS003343044
Show more names
ST50885017N-(4-Nitrophenyl)-4-(1-oxopropoxy)benzamide4-[N-(4-nitrophenyl)carbamoyl]phenyl propanoate
Database identifiers
- CAS
690989-64-1- PubChem CID
- 2936085
- DTXSID
DTXSID801263354- ChEMBL
CHEMBL1601808
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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