1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-bromophenyl)-5-oxo-1-phenyl-4-(phenylamino)-
Basic information
- CAS
145510-84-5- Standard SMILES
O=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)C1c1ccc(Br)cc1- InChIKey
JVWXUQOXNQXSLR-UHFFFAOYSA-N- Molecular formula
- C24H19BrN2O3
- Average molar mass
- 463.3 g/mol
- Monoisotopic mass
- 462.05791
Names & identifiers
- Preferred name
- 1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-bromophenyl)-5-oxo-1-phenyl-4-(phenylamino)-
- IUPAC
- 2-[4-anilino-2-(4-bromophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
Names & synonyms
145510-84-52,5-Dihydro-2-(4-bromophenyl)-5-oxo-1-phenyl-4-(phenylamino)-1H-pyrrole-3-acetic acid1H-Pyrrole-3-acetic acid, 2,5-dihydro-2-(4-bromophenyl)-5-oxo-1-phenyl-4-(phenylamino)-RefChem:2405681H-Pyrrole-3-aceticacid, 2-(4-bromophenyl)-2,5-dihydro-5-oxo-1-phenyl-4-(phenylamino)-[4-Anilino-2-(4-bromophenyl)-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl]acetic acidMLS000703653CHEMBL1410935DTXSID90932624REGID_for_CID_2868636HMS2685B17STK599962
Show more names
2-[4-anilino-2-(4-bromophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acidAKOS000564573AKOS021990608CCG-106768NCGC00245156-01SMR000274018[2-(4-bromophenyl)-5-oxo-1-phenyl-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl]acetic acid2-(2-(4-bromophenyl)-5-oxo-1-phenyl-4-(phenylamino)-2,5-dihydro-1H-pyrrol-3-yl)acetic acid
Database identifiers
- CAS
145510-84-5- PubChem CID
- 2868636
- DTXSID
DTXSID90932624- ChEMBL
CHEMBL1410935- Nikkaji
- J529.715J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 659
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…