Basic information
- CAS
145510-85-6- Standard SMILES
O=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccc(Br)cc1- InChIKey
IKQFQTHASNTFMG-UHFFFAOYSA-N- Molecular formula
- C18H14BrNO4
- Average molar mass
- 388.2 g/mol
- Monoisotopic mass
- 387.01062
Names & identifiers
- Preferred name
- 1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-
- IUPAC
- 2-[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
Names & synonyms
145510-85-61-Phenyl-5-(p-bromophenyl)-3-hydroxy-4-carboxymethyl-2,5-dihydro-2-pyrrolone2,5-Dihydro-2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-1H-pyrrole-3-acetic acid1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-RefChem:240567[2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acidSMR000145414Oprea1_527611MLS000551489CHEMBL1524618DTXSID50932625HMS2175J06
Show more names
STL333515AKOS022139337NCGC00246315-01[2-(4-Bromo-phenyl)-4-hydroxy-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]-acetic acid2-(2-(4-bromophenyl)-4-hydroxy-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)acetic acid
Database identifiers
- CAS
145510-85-6- PubChem CID
- 3073045
- DTXSID
DTXSID50932625- ChEMBL
CHEMBL1524618- Nikkaji
- J529.723K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 533
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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