3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one

C30H26ClNO5 — CID 108684716

IUPAC3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
SMILESCc1ccccc1C1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1c1ccc(OCC(C)C)cc1
InChIInChI=1S/C30H26ClNO5/c1-17(2)16-36-22-11-9-21(10-12-22)32-27(23-7-5-4-6-18(23)3)26(29(34)30(32)35)28(33)25-15-19-14-20(31)8-13-24(19)37-25/h4-15,17,27,34H,16H2,1-3H3
InChIKeyJGEVTTAPSDNUBF-UHFFFAOYSA-N
MW515.99 g/mol
LogP7.21
Rot. Bonds7

About 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one

3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one (PubChem CID 108684716) has the molecular formula C30H26ClNO5 and a molecular weight of 515.99 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
PubChem CID108684716
Molecular FormulaC30H26ClNO5
Molecular Weight515.99 g/mol
Exact Mass515.15
IUPAC Name3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
SMILESCc1ccccc1C1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1c1ccc(OCC(C)C)cc1
InChIInChI=1S/C30H26ClNO5/c1-17(2)16-36-22-11-9-21(10-12-22)32-27(23-7-5-4-6-18(23)3)26(29(34)30(32)35)28(33)25-15-19-14-20(31)8-13-24(19)37-25/h4-15,17,27,34H,16H2,1-3H3
InChIKeyJGEVTTAPSDNUBF-UHFFFAOYSA-N
XLogP7.21
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.99
LogP ≤ 57.21
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-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 108667959
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108677525
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-phenyl-2H-pyrrol-5-one
CID 108651020
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-(4-phenoxyphenyl)-2H-pyrrol-5-one
CID 108714404
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-ethoxyphenyl)-2-(4-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108674481
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-(4-propan-2-ylphenyl)-2-pyridin-2-yl-2H-pyrrol-5-one
CID 108589136
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108602951
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one
CID 108670482
1-(4-tert-butylphenyl)-3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-5-one
CID 108720490
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108603887
4-[3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-(3-propan-2-yloxyphenyl)-2H-pyrrol-1-yl]benzonitrile
CID 108671611

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one (CID 108684716) is 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one is Cc1ccccc1C1C(C(=O)c2cc3cc(Cl)ccc3o2)=C(O)C(=O)N1c1ccc(OCC(C)C)cc1.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one?
The InChIKey is JGEVTTAPSDNUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26ClNO5/c1-17(2)16-36-22-11-9-21(10-12-22)32-27(23-7-5-4-6-18(23)3)26(29(34)30(32)35)28(33)25-15-19-14-20(31)8-13-24(19)37-25/h4-15,17,27,34H,16H2,1-3H3.
What are the key properties of 3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one?
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one has a molecular weight of 515.99 g/mol, XLogP of 7.21, 7 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)-4-hydroxy-2-(2-methylphenyl)-1-[4-(2-methylpropoxy)phenyl]-2H-pyrrol-5-one is sourced from PubChem (CID 108684716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).