2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

C23H15ClF3NO6 — CID 21008446

IUPAC2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc(Cl)c1O
InChIInChI=1S/C23H15ClF3NO6/c1-33-16-9-11(8-14(24)19(16)29)18-17(20(30)15-6-3-7-34-15)21(31)22(32)28(18)13-5-2-4-12(10-13)23(25,26)27/h2-10,18,29,31H,1H3
InChIKeyXGGWSWDFDRKFQJ-UHFFFAOYSA-N
MW493.82 g/mol
LogP5.45
Rot. Bonds5

About 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one

2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (PubChem CID 21008446) has the molecular formula C23H15ClF3NO6 and a molecular weight of 493.82 g/mol. Its IUPAC name is 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
PubChem CID21008446
Molecular FormulaC23H15ClF3NO6
Molecular Weight493.82 g/mol
Exact Mass493.05
IUPAC Name2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc(Cl)c1O
InChIInChI=1S/C23H15ClF3NO6/c1-33-16-9-11(8-14(24)19(16)29)18-17(20(30)15-6-3-7-34-15)21(31)22(32)28(18)13-5-2-4-12(10-13)23(25,26)27/h2-10,18,29,31H,1H3
InChIKeyXGGWSWDFDRKFQJ-UHFFFAOYSA-N
XLogP5.45
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.82
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 21008452
2-(4-bromophenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 21008455
2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108607628
1-(3-chloro-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108670032
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-1-[2-(dimethylamino)-2-phenylethyl]-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 21008322
1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 108578646
3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108670553
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108682201
1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
CID 108666044
2-(4-chlorophenyl)-1-(3-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2H-pyrrol-5-one
CID 108600026
2-(furan-2-yl)-4-hydroxy-3-(2-methylpropanoyl)-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108607609
N-[3-[3-(furan-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]phenyl]acetamide
CID 108668032

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one (CID 21008446) is 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is COc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc(Cl)c1O.
What is the InChIKey of 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
The InChIKey is XGGWSWDFDRKFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3NO6/c1-33-16-9-11(8-14(24)19(16)29)18-17(20(30)15-6-3-7-34-15)21(31)22(32)28(18)13-5-2-4-12(10-13)23(25,26)27/h2-10,18,29,31H,1H3.
What are the key properties of 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one?
2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one has a molecular weight of 493.82 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 21008446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).