Basic information
- Standard SMILES
COC(=O)c1cc(Nc2ccccc2)cc(N2CCCC2=O)c1- InChIKey
QJQGTQDDHJOROC-UHFFFAOYSA-N- Molecular formula
- C18H18N2O3
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.13174244
Names & identifiers
- Preferred name
- 3-(2-Oxo-pyrrolidin-1-yl)-5-phenylamino-benzoic acid methyl ester
- IUPAC
- methyl 3-anilino-5-(2-oxopyrrolidin-1-yl)benzoate
Names & synonyms
SCHEMBL5223277QJQGTQDDHJOROC-UHFFFAOYSA-NDB-142939Methyl 3-(2-oxopyrrolidin-1-yl)-5-(phenylamino)benzoate3-(2-Oxo-pyrrolidin-1-yl)-5-phenylamino-benzoic acid methyl ester706793-53-5
Database identifiers
- PubChem CID
- 69360108
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 434
Related reactions
2 records
Compound notes
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