Basic information
- Standard SMILES
O=C(CNC(=O)c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)C1- InChIKey
WBUMADZHUWSXGU-UHFFFAOYSA-N- Molecular formula
- C20H22ClN3O2
- Average molar mass
- 371.9 g/mol
Names & identifiers
- Preferred name
- 3-(N-benzoylglycyl)amino-1-(4-chlorobenzyl)pyrrolidine
- IUPAC
- N-[2-[[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
Names & synonyms
CHEMBL188170SCHEMBL4849833WBUMADZHUWSXGU-UHFFFAOYSA-NBDBM501539443-(N-benzoylglycyl)amino-1-(4-chlorobenzyl)pyrrolidineN-{[1-(4-Chloro-benzyl)-pyrrolidin-3-ylcarbamoyl]-methyl}-benzamide
Database identifiers
- PubChem CID
- 9842404
- ChEMBL
CHEMBL188170
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 474
Related reactions
6 records
Compound notes
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