1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one

C21H14BrNO4 — CID 108678293

IUPAC1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2cccc(Br)c2)C1c1ccccc1)c1ccco1
InChIInChI=1S/C21H14BrNO4/c22-14-8-4-9-15(12-14)23-18(13-6-2-1-3-7-13)17(20(25)21(23)26)19(24)16-10-5-11-27-16/h1-12,18,25H
InChIKeyLWNKCYQMRPOFHY-UHFFFAOYSA-N
MW424.25 g/mol
LogP4.82
Rot. Bonds4

About 1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one

1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one (PubChem CID 108678293) has the molecular formula C21H14BrNO4 and a molecular weight of 424.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
PubChem CID108678293
Molecular FormulaC21H14BrNO4
Molecular Weight424.25 g/mol
Exact Mass423.01
IUPAC Name1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2cccc(Br)c2)C1c1ccccc1)c1ccco1
InChIInChI=1S/C21H14BrNO4/c22-14-8-4-9-15(12-14)23-18(13-6-2-1-3-7-13)17(20(25)21(23)26)19(24)16-10-5-11-27-16/h1-12,18,25H
InChIKeyLWNKCYQMRPOFHY-UHFFFAOYSA-N
XLogP4.82
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.25
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108673423
1-(3-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108597781
2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 21008455
1-(3-chloro-4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108598387
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108598213
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108616568
2-(4-chlorophenyl)-1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108600026
1-(3,5-dichlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 108681838
1-(2,5-dimethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108638729
1-(2,4-dimethylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108639407
1-(3-chlorophenyl)-2-(2-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108602937
3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 21008452

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The IUPAC name of 1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one (CID 108678293) is 1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)C1c1ccccc1)c1ccco1.
What is the InChIKey of 1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
The InChIKey is LWNKCYQMRPOFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrNO4/c22-14-8-4-9-15(12-14)23-18(13-6-2-1-3-7-13)17(20(25)21(23)26)19(24)16-10-5-11-27-16/h1-12,18,25H.
What are the key properties of 1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one?
1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one has a molecular weight of 424.25 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 108678293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).