Basic information
- CAS
852902-64-8- Standard SMILES
Cc1ccc(NC(=O)CN2CCCC2c2cccn2C)c(Br)c1- InChIKey
YPRSNCOXMZLNFJ-UHFFFAOYSA-N- Molecular formula
- C18H22BrN3O
- Average molar mass
- 376.3 g/mol
- Monoisotopic mass
- 375.09462
Names & identifiers
- Preferred name
- N-(2-bromo-4-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
- IUPAC
- N-(2-bromo-4-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
Names & synonyms
N-(2-Bromo-4-methylphenyl)-2-(2-(1-methyl-1H-pyrrol-2-yl)pyrrolidin-1-yl)acetamideN-(2-bromo-4-methylphenyl)-2-[2-(1-methyl-1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamideN-(2-bromo-4-methylphenyl)-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamideMLS002248806CHEMBL1698764DTXSID801328766HMS3072M05AKOS034542039852902-64-8SMR001316265Z73173657
Database identifiers
- CAS
852902-64-8- PubChem CID
- 4787151
- DTXSID
DTXSID801328766- ChEMBL
CHEMBL1698764
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 419
Experimental & physicochemical properties
Solubility11.4 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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