(2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one

C23H17BrFNO3 — CID 94073399

IUPAC(2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H17BrFNO3/c1-29-19-12-4-14(5-13-19)20-21(15-2-6-16(24)7-3-15)26(23(28)22(20)27)18-10-8-17(25)9-11-18/h2-13,21,27H,1H3/t21-/m0/s1
InChIKeyYSDKHYOKBMLJNN-NRFANRHFSA-N
MW454.30 g/mol
LogP5.65
Rot. Bonds4

About (2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one

(2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 94073399) has the molecular formula C23H17BrFNO3 and a molecular weight of 454.30 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID94073399
Molecular FormulaC23H17BrFNO3
Molecular Weight454.30 g/mol
Exact Mass453.04
IUPAC Name(2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H17BrFNO3/c1-29-19-12-4-14(5-13-19)20-21(15-2-6-16(24)7-3-15)26(23(28)22(20)27)18-10-8-17(25)9-11-18/h2-13,21,27H,1H3/t21-/m0/s1
InChIKeyYSDKHYOKBMLJNN-NRFANRHFSA-N
XLogP5.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.30
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774338
(2R)-3-acetyl-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 1345494
(2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073383
(2R)-2-(4-ethylphenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073400
4-[(2R)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-5-oxo-2H-pyrrol-2-yl]benzoic acid
CID 94073198
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-fluorophenyl)-4-hydroxy-1-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108601073
1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774227
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94072858
(2R)-2-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 94071830
(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 94072943
(2R)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(3-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 94072942
3-acetyl-4-hydroxy-2-(4-methoxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 2868511

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of (2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one (CID 94073399) is (2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for (2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one is COc1ccc(C2=C(O)C(=O)N(c3ccc(F)cc3)[C@H]2c2ccc(Br)cc2)cc1.
What is the InChIKey of (2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is YSDKHYOKBMLJNN-NRFANRHFSA-N. The full InChI is InChI=1S/C23H17BrFNO3/c1-29-19-12-4-14(5-13-19)20-21(15-2-6-16(24)7-3-15)26(23(28)22(20)27)18-10-8-17(25)9-11-18/h2-13,21,27H,1H3/t21-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one?
(2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 454.30 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 94073399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).