3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one

C29H17Cl2NO4 — CID 108677525

IUPAC3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)C1c1cccc2ccccc12)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C29H17Cl2NO4/c30-18-7-4-8-20(15-18)32-26(22-10-3-6-16-5-1-2-9-21(16)22)25(28(34)29(32)35)27(33)24-14-17-13-19(31)11-12-23(17)36-24/h1-15,26,34H
InChIKeyWABFWKLIPVUDKJ-UHFFFAOYSA-N
MW514.36 g/mol
LogP7.68
Rot. Bonds4

About 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one

3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one (PubChem CID 108677525) has the molecular formula C29H17Cl2NO4 and a molecular weight of 514.36 g/mol. Its IUPAC name is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one
PubChem CID108677525
Molecular FormulaC29H17Cl2NO4
Molecular Weight514.36 g/mol
Exact Mass513.05
IUPAC Name3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)C1c1cccc2ccccc12)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C29H17Cl2NO4/c30-18-7-4-8-20(15-18)32-26(22-10-3-6-16-5-1-2-9-21(16)22)25(28(34)29(32)35)27(33)24-14-17-13-19(31)11-12-23(17)36-24/h1-15,26,34H
InChIKeyWABFWKLIPVUDKJ-UHFFFAOYSA-N
XLogP7.68
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.36
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108602951
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-methoxyphenyl)-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108677135
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)-2-(4-chlorophenyl)-1-(3-ethoxyphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108678650
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)-1-(3-chloro-4-methylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 108667959
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108603887
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108582708
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
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-fluorophenyl)-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108632306
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108677440
3-(5-chloro-1-benzofuran-2-carbonyl)-4-hydroxy-1-phenyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108629775

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one (CID 108677525) is 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)C1c1cccc2ccccc12)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one?
The InChIKey is WABFWKLIPVUDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17Cl2NO4/c30-18-7-4-8-20(15-18)32-26(22-10-3-6-16-5-1-2-9-21(16)22)25(28(34)29(32)35)27(33)24-14-17-13-19(31)11-12-23(17)36-24/h1-15,26,34H.
What are the key properties of 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one?
3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one has a molecular weight of 514.36 g/mol, XLogP of 7.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108677525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).