Basic information
- CAS
56463-73-1- Standard SMILES
CC(=O)c1c(C)[nH]c(-c2ccc(Cl)cc2)c1N- InChIKey
OOIDVVFBVRBJSS-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2O
- Average molar mass
- 248.71 g/mol
- Monoisotopic mass
- 248.0716407
Names & identifiers
- Preferred name
- ETHANONE, 1-(4-AMINO-5-(p-CHLOROPHENYL)-2-METHYL-1H-PYRROL-3-YL)-
- IUPAC
- 1-[4-amino-5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
- English name
- 1-[4-Amino-5-(p-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
- Molecular formula
- C13H13ClN2O
- Molecular weight
- 248.71
Names & synonyms
56463-73-1ETHANONE, 1-(4-AMINO-5-(p-CHLOROPHENYL)-2-METHYL-1H-PYRROL-3-YL)-BRN 04789471-(4-Amino-5-(p-chlorophenyl)-2-methyl-1H-pyrrol-3-yl)ethanoneKetone, (4-amino-5-(p-chlorophenyl)-2-methylpyrrol-3-yl) methylSCHEMBL11451804DTXSID202050151-[4-amino-5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-oneDB-2912651-[4-Amino-5-(p-chlorophenyl)-2-methyl-1h-pyrrol-3-yl ]ethanone1-[4-Amino-5-(p-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanoneEthanone, 1-[4-amino-5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-
Database identifiers
- CAS
56463-73-1- PubChem CID
- 41887
- DTXSID
DTXSID20205015- Nikkaji
- J61.507B
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Density
- 1.2365 · 1.2365 (rough estimate)
- refractive index
- 1.633 · 1.6330 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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