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

C27H19Cl2NO5 — CID 108667959

IUPAC3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1
InChIInChI=1S/C27H19Cl2NO5/c1-14-7-9-17(13-19(14)29)30-24(18-5-3-4-6-21(18)34-2)23(26(32)27(30)33)25(31)22-12-15-11-16(28)8-10-20(15)35-22/h3-13,24,32H,1-2H3
InChIKeyMYVDEYIACPUQAK-UHFFFAOYSA-N
MW508.36 g/mol
LogP6.84
Rot. Bonds5

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

3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 108667959) has the molecular formula C27H19Cl2NO5 and a molecular weight of 508.36 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID108667959
Molecular FormulaC27H19Cl2NO5
Molecular Weight508.36 g/mol
Exact Mass507.06
IUPAC Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1ccccc1C1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1
InChIInChI=1S/C27H19Cl2NO5/c1-14-7-9-17(13-19(14)29)30-24(18-5-3-4-6-21(18)34-2)23(26(32)27(30)33)25(31)22-12-15-11-16(28)8-10-20(15)35-22/h3-13,24,32H,1-2H3
InChIKeyMYVDEYIACPUQAK-UHFFFAOYSA-N
XLogP6.84
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.36
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108602779
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108681330
1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108667941
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3,4-dimethylphenyl)-4-hydroxy-2-(3-hydroxyphenyl)-2H-pyrrol-5-one
CID 108605018
1-butyl-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 108614846
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108677525
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108602951
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
CID 108702120
methyl 4-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108667490
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
CID 108684716
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 108579002
methyl 3-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]benzoate
CID 108667577

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one (CID 108667959) is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one is COc1ccccc1C1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is MYVDEYIACPUQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2NO5/c1-14-7-9-17(13-19(14)29)30-24(18-5-3-4-6-21(18)34-2)23(26(32)27(30)33)25(31)22-12-15-11-16(28)8-10-20(15)35-22/h3-13,24,32H,1-2H3.
What are the key properties of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one?
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 508.36 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108667959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).