Basic information
- CAS
771507-76-7- Standard SMILES
CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C)c2C)c1C- InChIKey
YKCDPFIQLZCOIP-UHFFFAOYSA-N- Molecular formula
- C17H20N2O2
- Average molar mass
- 284.35 g/mol
- Monoisotopic mass
- 284.15247789
Names & identifiers
- Preferred name
- 4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
- IUPAC
- 4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
Names & synonyms
ZINC004294594-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamideMLS001177529CHEMBL1403570DTXSID201321512HMS2902D12AKOS001044864771507-76-7SMR000589841EU-0026310SR-01000096130SR-01000096130-1
Show more names
Z27799329
Database identifiers
- CAS
771507-76-7- PubChem CID
- 866992
- DTXSID
DTXSID201321512- ChEMBL
CHEMBL1403570
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 410
Experimental & physicochemical properties
Solubility2 [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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