N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]acetamide
Basic information
- CAS
54609-10-8- Standard SMILES
CC(=O)Nc1ccc(-n2c(C)ccc2C)cc1- InChIKey
DZIJOLMRKKJSMB-UHFFFAOYSA-N- Molecular formula
- C14H16N2O
- Average molar mass
- 228.29 g/mol
- Monoisotopic mass
- 228.12626314
Names & identifiers
- Preferred name
- N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]acetamide
- IUPAC
- N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]acetamide
Names & synonyms
54609-10-8N-[4-(2,5-dimethylpyrrol-1-yl)phenyl]acetamideN-(4-(2,5-Dimethyl-1H-pyrrol-1-yl)phenyl)acetamideN-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]acetamideAcetamide, N-[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]-Enamine_004923CBDivE_005432MLS000766061CHEMBL1369330DTXSID40332599HMS1407P17HMS2697E16
Show more names
STK196766AKOS000285920p-(2,5-Dimethyl-1-pyrryl)acetanilideSMR000279767AG-205/33166001SR-01000459899SR-01000459899-1Z55669069
Database identifiers
- CAS
54609-10-8- PubChem CID
- 459083
- DTXSID
DTXSID40332599- ChEMBL
CHEMBL1369330
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Experimental & physicochemical properties
Solubility>34.2 [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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