Basic information
- Standard SMILES
CC(NC(=O)c1cc(COCC(C)(N)Cc2ccccc2)cc(C2(C#N)CCCC2)c1)c1cccc(Cl)c1- InChIKey
RKTBEIBXYWRKGX-UHFFFAOYSA-N- Molecular formula
- C32H36ClN3O2
- Average molar mass
- 530.1 g/mol
- Monoisotopic mass
- 529.2496051
Names & identifiers
- Preferred name
- 3-((2-Amino-2-methyl-3-phenylpropoxy)methyl)-N-(1-(3-chlorophenyl)ethyl)-5-(1-cyanocyclopentyl)benzamide
- IUPAC
- 3-[(2-amino-2-methyl-3-phenylpropoxy)methyl]-N-[1-(3-chlorophenyl)ethyl]-5-(1-cyanocyclopentyl)benzamide
Names & synonyms
SCHEMBL2212773RKTBEIBXYWRKGX-UHFFFAOYSA-N3-((2-Amino-2-methyl-3-phenylpropoxy)methyl)-N-(1-(3-chlorophenyl)ethyl)-5-(1-cyanocyclopentyl)benzamide
Database identifiers
- PubChem CID
- 11353063
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 815
Related reactions
1 records
Compound notes
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