Basic information
- Standard SMILES
Nc1ccc(Cl)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1- InChIKey
ZUYRKOKWJXYTBM-MRXNPFEDSA-N- Molecular formula
- C20H22Cl2N4O2
- Average molar mass
- 421.3 g/mol
Names & identifiers
- Preferred name
- (R)-1-(4-chlorobenzyl)-3-[[N-(2-amino-5-chlorobenzoyl)glycyl]amino]pyrrolidine
- IUPAC
- 2-amino-5-chloro-N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]benzamide
Names & synonyms
CHEMBL272330SCHEMBL4842873ZUYRKOKWJXYTBM-MRXNPFEDSA-NBDBM50375758(R)-1-(4-chlorobenzyl)-3-[[N-(2-amino-5-chlorobenzoyl)glycyl]amino]pyrrolidine
Database identifiers
- PubChem CID
- 44453533
- ChEMBL
CHEMBL272330
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 542
Related reactions
1 records
Compound notes
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