Basic information
- CAS
851871-82-4- Standard SMILES
Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1C1CC1- InChIKey
YGBPAQMFYBVPPF-UHFFFAOYSA-N- Molecular formula
- C18H20N2O3
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.1473925
Names & identifiers
- Preferred name
- 2-[2-(1-Cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide
- IUPAC
- 2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamide
Names & synonyms
2-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethoxy]benzamideMLS001006287CHEMBL1406032DTXSID701321543HMS1729N20HMS2680I21AKOS034441433851871-82-4SMR000384311SR-01000064664SR-01000064664-1Z54601165
Show more names
2-[2-(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethoxy]benzamide
Database identifiers
- CAS
851871-82-4- PubChem CID
- 2525555
- DTXSID
DTXSID701321543- ChEMBL
CHEMBL1406032
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 74.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 463
Experimental & physicochemical properties
Solubility7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…