(2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one

C23H17BrFNO2 — CID 94072981

IUPAC(2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccccc2)[C@@H](c2ccc(Br)cc2)N1Cc1ccc(F)cc1
InChIInChI=1S/C23H17BrFNO2/c24-18-10-8-17(9-11-18)21-20(16-4-2-1-3-5-16)22(27)23(28)26(21)14-15-6-12-19(25)13-7-15/h1-13,21,27H,14H2/t21-/m1/s1
InChIKeyJGQCGAAWNOWCNL-OAQYLSRUSA-N
MW438.30 g/mol
LogP5.64
Rot. Bonds4

About (2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one

(2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one (PubChem CID 94072981) has the molecular formula C23H17BrFNO2 and a molecular weight of 438.30 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one
PubChem CID94072981
Molecular FormulaC23H17BrFNO2
Molecular Weight438.30 g/mol
Exact Mass437.04
IUPAC Name(2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one
SMILESO=C1C(O)=C(c2ccccc2)[C@@H](c2ccc(Br)cc2)N1Cc1ccc(F)cc1
InChIInChI=1S/C23H17BrFNO2/c24-18-10-8-17(9-11-18)21-20(16-4-2-1-3-5-16)22(27)23(28)26(21)14-15-6-12-19(25)13-7-15/h1-13,21,27H,14H2/t21-/m1/s1
InChIKeyJGQCGAAWNOWCNL-OAQYLSRUSA-N
XLogP5.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.30
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073481
(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073480
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982027
(2R)-2-(4-bromophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982155
1-benzyl-3-(4-fluorophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 45031889
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982151
(2R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one
CID 51982059
(2R)-2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 94071971
2-(4-bromophenyl)-3-(4-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-2H-pyrrol-5-one
CID 50743696
(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
CID 94072901
methyl 4-[(2R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-3-phenyl-2H-pyrrol-2-yl]benzoate
CID 94073138
(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 51981990

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of (2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one (CID 94072981) is (2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one is O=C1C(O)=C(c2ccccc2)[C@@H](c2ccc(Br)cc2)N1Cc1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
The InChIKey is JGQCGAAWNOWCNL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H17BrFNO2/c24-18-10-8-17(9-11-18)21-20(16-4-2-1-3-5-16)22(27)23(28)26(21)14-15-6-12-19(25)13-7-15/h1-13,21,27H,14H2/t21-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one?
(2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one has a molecular weight of 438.30 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 94072981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).