Basic information
- CAS
226226-40-0- Standard SMILES
Cc1cccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)c1- InChIKey
HFRUDMQWRWCIRG-LJQANCHMSA-N- Molecular formula
- C21H24ClN3O2
- Average molar mass
- 385.9 g/mol
- Monoisotopic mass
- 385.1557047
Names & identifiers
- Preferred name
- N-[2-[[(3R)-1-[(4-Chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-methylbenzamide
- IUPAC
- N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-methylbenzamide
Names & synonyms
CHEMBL405632DTXSID501121632BDBM50375717N-[2-[[(3R)-1-[(4-Chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-methylbenzamide226226-40-0N-[2-({(3R)-1-[(4-Chlorophenyl)methyl]pyrrolidin-3-yl}amino)-2-oxoethyl]-3-methylbenzamide
Database identifiers
- CAS
226226-40-0- PubChem CID
- 44453370
- DTXSID
DTXSID501121632- ChEMBL
CHEMBL405632
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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