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

C24H19BrFNO3 — CID 122727617

IUPAC1-(3-bromophenyl)-2-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCOc1cccc(C2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(Br)c2)c1
InChIInChI=1S/C24H19BrFNO3/c1-2-30-20-8-3-5-16(13-20)22-21(15-9-11-18(26)12-10-15)23(28)24(29)27(22)19-7-4-6-17(25)14-19/h3-14,22,28H,2H2,1H3
InChIKeyLCQXZOLZBGCXBX-UHFFFAOYSA-N
MW468.32 g/mol
LogP6.04
Rot. Bonds5

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

1-(3-bromophenyl)-2-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (PubChem CID 122727617) has the molecular formula C24H19BrFNO3 and a molecular weight of 468.32 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
PubChem CID122727617
Molecular FormulaC24H19BrFNO3
Molecular Weight468.32 g/mol
Exact Mass467.05
IUPAC Name1-(3-bromophenyl)-2-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
SMILESCCOc1cccc(C2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(Br)c2)c1
InChIInChI=1S/C24H19BrFNO3/c1-2-30-20-8-3-5-16(13-20)22-21(15-9-11-18(26)12-10-15)23(28)24(29)27(22)19-7-4-6-17(25)14-19/h3-14,22,28H,2H2,1H3
InChIKeyLCQXZOLZBGCXBX-UHFFFAOYSA-N
XLogP6.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.32
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073383
2-(3-bromophenyl)-1-(3-ethoxyphenyl)-7-fluoro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18856003
2-(3-ethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108596064
(2S)-2-(4-bromophenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 94073399
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,4-difluorophenyl)-2-(3-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108675875
1-(3-ethoxyphenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(3-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108721171
1-(4-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108577109
2-(3,4-dimethoxyphenyl)-1-(3-ethoxyphenyl)-4-hydroxy-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108700536
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108597798
(2R)-2-(4-ethylphenyl)-1-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073400
1-(1,3-benzodioxol-5-yl)-2-(3-ethoxyphenyl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108675767
(2S)-3-acetyl-1-(3-bromophenyl)-2-(4-bromophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 1106612

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-(3-bromophenyl)-2-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one (CID 122727617) is 1-(3-bromophenyl)-2-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3-bromophenyl)-2-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-(3-bromophenyl)-2-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is CCOc1cccc(C2C(c3ccc(F)cc3)=C(O)C(=O)N2c2cccc(Br)c2)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is LCQXZOLZBGCXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrFNO3/c1-2-30-20-8-3-5-16(13-20)22-21(15-9-11-18(26)12-10-15)23(28)24(29)27(22)19-7-4-6-17(25)14-19/h3-14,22,28H,2H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one?
1-(3-bromophenyl)-2-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 468.32 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(3-ethoxyphenyl)-3-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 122727617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).