1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one

C23H18ClNO5 — CID 108666044

IUPAC1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C23H18ClNO5/c1-13-5-8-15(12-17(13)24)25-20(14-6-9-16(29-2)10-7-14)19(22(27)23(25)28)21(26)18-4-3-11-30-18/h3-12,20,27H,1-2H3
InChIKeyMILFRKCLALCBJX-UHFFFAOYSA-N
MW423.85 g/mol
LogP5.03
Rot. Bonds5

About 1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one

1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108666044) has the molecular formula C23H18ClNO5 and a molecular weight of 423.85 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID108666044
Molecular FormulaC23H18ClNO5
Molecular Weight423.85 g/mol
Exact Mass423.09
IUPAC Name1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C23H18ClNO5/c1-13-5-8-15(12-17(13)24)25-20(14-6-9-16(29-2)10-7-14)19(22(27)23(25)28)21(26)18-4-3-11-30-18/h3-12,20,27H,1-2H3
InChIKeyMILFRKCLALCBJX-UHFFFAOYSA-N
XLogP5.03
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.85
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(2-methylphenyl)-2H-pyrrol-5-one
CID 108576467
3-(furan-2-carbonyl)-4-hydroxy-1-(4-methoxyphenyl)-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584255
1-(3-chloro-4-methoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108670032
3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 3718935
1-(3-chloro-4-methylphenyl)-2-(furan-2-yl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108655186
1-(3-chloro-4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108598387
1-(3,5-dimethoxyphenyl)-3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108606831
2-(4-ethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108594860
1-(4-fluorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108577113
3-(furan-2-carbonyl)-4-hydroxy-2-(4-hydroxyphenyl)-1-(3-methylphenyl)-2H-pyrrol-5-one
CID 108616568
methyl 4-[3-(furan-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108666566
1-(4-chlorophenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108584429

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one (CID 108666044) is 1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one is COc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is MILFRKCLALCBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClNO5/c1-13-5-8-15(12-17(13)24)25-20(14-6-9-16(29-2)10-7-14)19(22(27)23(25)28)21(26)18-4-3-11-30-18/h3-12,20,27H,1-2H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one?
1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 423.85 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-3-(furan-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108666044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).