Basic information
- CAS
56463-65-1- Standard SMILES
CC(=O)c1c(C)[nH]c(-c2ccc(F)cc2)c1N- InChIKey
SWLGHYJGPQLDBS-UHFFFAOYSA-N- Molecular formula
- C13H13FN2O
- Average molar mass
- 232.25 g/mol
- Monoisotopic mass
- 232.1011912
Names & identifiers
- Preferred name
- Ethanone, 1-(4-amino-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl)-
- IUPAC
- 1-[4-amino-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
- English name
- 1-[4-Amino-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
- Molecular formula
- C13H13FN2O
- Molecular weight
- 232.2535232
Names & synonyms
BRN 0478946ETHANONE, 1-(4-AMINO-5-(4-FLUOROPHENYL)-2-METHYL-1H-PYRROL-3-YL)-56463-65-1DTXSID40205012Ketone, (4-amino-5-(p-fluorophenyl)-2-methylpyrrol-3-yl) methyl1-(4-Amino-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl)ethanone5-22-13-00086 (Beilstein Handbook Reference)RefChem:341199DTXCID40127503SCHEMBL11471432SWLGHYJGPQLDBS-UHFFFAOYSA-N1-[4-amino-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one
Show more names
1-[4-Amino-5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
4-Acetyl-3-amino-2-(p-fluorophenyl)-5-methylpyrrole
Database identifiers
- CAS
56463-65-1- PubChem CID
- 41885
- DTXSID
DTXSID40205012
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Density
- 1.19 · 1.1900 (estimate)
Related reactions
5 records
Compound notes
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