2-[[(5-Bromo-2-methoxyphenyl)methyl]methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
Basic information
- CAS
1031876-77-3- Standard SMILES
COc1ccc(Br)cc1CN(C)C(C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC- InChIKey
RBEWXWMKIUELTH-UHFFFAOYSA-N- Molecular formula
- C19H22BrN3O5
- Average molar mass
- 452.3 g/mol
- Monoisotopic mass
- 451.07428
Names & identifiers
- Preferred name
- 2-[[(5-Bromo-2-methoxyphenyl)methyl]methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
- IUPAC
- 2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide
Names & synonyms
SMR000253862MLS000336308MLS003913119CHEMBL1320009DTXSID901125193HMS2531C11AKOS0343491252-[[(5-Bromo-2-methoxyphenyl)methyl]methylamino]-N-(2-methoxy-5-nitrophenyl)propanamide1031876-77-3Z44451889N~2~-[(5-Bromo-2-methoxyphenyl)methyl]-N-(2-methoxy-5-nitrophenyl)-N~2~-methylalaninamide
Database identifiers
- CAS
1031876-77-3- PubChem CID
- 4879979
- DTXSID
DTXSID901125193- ChEMBL
CHEMBL1320009
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 96.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 532
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Compound notes
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