N-(3-nitrophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
Basic information
- CAS
790716-35-7- Standard SMILES
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCCC2=O)cc1- InChIKey
DHCIXQHSVXAAGA-UHFFFAOYSA-N- Molecular formula
- C17H15N3O4
- Average molar mass
- 325.32 g/mol
- Monoisotopic mass
- 325.10625597
Names & identifiers
- Preferred name
- N-(3-nitrophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
- IUPAC
- N-(3-nitrophenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
Names & synonyms
N-(3-nitrophenyl)-4-(2-oxopyrrolidin-1-yl)benzamideMLS000771155CHEMBL1336310DTXSID001320025HMS2679J09AKOS034165497790716-35-7SMR000376034AB00610255-02Z31681596
Database identifiers
- CAS
790716-35-7- PubChem CID
- 2523232
- DTXSID
DTXSID001320025- ChEMBL
CHEMBL1336310
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Experimental & physicochemical properties
Solubility1.5 [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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