Benzamide, 4-amino-5-chloro-N-((4-((4-cyanophenyl)methyl)-2-morpholinyl)methyl)-2-ethoxy-
Basic information
- CAS
112886-47-2- Standard SMILES
CCOc1cc(N)c(Cl)cc1C(=O)NCC1CN(Cc2ccc(C#N)cc2)CCO1- InChIKey
ZBGVGPPNOOBVQH-UHFFFAOYSA-N- Molecular formula
- C22H25ClN4O3
- Average molar mass
- 428.9 g/mol
- Monoisotopic mass
- 428.1615184
Names & identifiers
- Preferred name
- Benzamide, 4-amino-5-chloro-N-((4-((4-cyanophenyl)methyl)-2-morpholinyl)methyl)-2-ethoxy-
- IUPAC
- 4-amino-5-chloro-N-[[4-[(4-cyanophenyl)methyl]morpholin-2-yl]methyl]-2-ethoxybenzamide
Names & synonyms
BRN 42736454-Amino-5-chloro-N-((4-((4-cyanophenyl)methyl)-2-morpholinyl)methyl)-2-ethoxybenzamide112886-47-2Benzamide, 4-amino-5-chloro-N-((4-((4-cyanophenyl)methyl)-2-morpholinyl)methyl)-2-ethoxy-RefChem:321656CHEMBL156193DTXSID009209314-Amino-5-chloro-N-({4-[(4-cyanophenyl)methyl]morpholin-2-yl}methyl)-2-ethoxybenzene-1-carboximidic acid
Database identifiers
- CAS
112886-47-2- PubChem CID
- 3087014
- DTXSID
DTXSID00920931- ChEMBL
CHEMBL156193- Nikkaji
- J374.044G
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 604
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Compound notes
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