3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one

C30H19Cl2NO5 — CID 108677440

IUPAC3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one
SMILESCOc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)C3c3cccc4ccccc34)oc12
InChIInChI=1S/C30H19Cl2NO5/c1-37-24-15-19(32)13-17-14-23(38-29(17)24)27(34)25-26(22-8-4-6-16-5-2-3-7-21(16)22)33(30(36)28(25)35)20-11-9-18(31)10-12-20/h2-15,26,35H,1H3
InChIKeyAIDSFGZTLCJQBW-UHFFFAOYSA-N
MW544.39 g/mol
LogP7.68
Rot. Bonds5

About 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one

3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one (PubChem CID 108677440) has the molecular formula C30H19Cl2NO5 and a molecular weight of 544.39 g/mol. Its IUPAC name is 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one
PubChem CID108677440
Molecular FormulaC30H19Cl2NO5
Molecular Weight544.39 g/mol
Exact Mass543.06
IUPAC Name3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one
SMILESCOc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)C3c3cccc4ccccc34)oc12
InChIInChI=1S/C30H19Cl2NO5/c1-37-24-15-19(32)13-17-14-23(38-29(17)24)27(34)25-26(22-8-4-6-16-5-2-3-7-21(16)22)33(30(36)28(25)35)20-11-9-18(31)10-12-20/h2-15,26,35H,1H3
InChIKeyAIDSFGZTLCJQBW-UHFFFAOYSA-N
XLogP7.68
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.39
LogP ≤ 57.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(2-methoxyphenyl)-2H-pyrrol-5-one
CID 108579002
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 108602611
4-[3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzonitrile
CID 108603040
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one
CID 108597457
1-(4-chlorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108633351
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(3,4-diethoxyphenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108677875
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108682288
2-(2-fluorophenyl)-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 108645024
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-[4-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 108670569
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 108639249
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-7-methoxy-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]-2H-pyrrol-5-one
CID 108698765

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one (CID 108677440) is 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one is COc1cc(Cl)cc2cc(C(=O)C3=C(O)C(=O)N(c4ccc(Cl)cc4)C3c3cccc4ccccc34)oc12.
What is the InChIKey of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one?
The InChIKey is AIDSFGZTLCJQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19Cl2NO5/c1-37-24-15-19(32)13-17-14-23(38-29(17)24)27(34)25-26(22-8-4-6-16-5-2-3-7-21(16)22)33(30(36)28(25)35)20-11-9-18(31)10-12-20/h2-15,26,35H,1H3.
What are the key properties of 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one?
3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one has a molecular weight of 544.39 g/mol, XLogP of 7.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-7-methoxy-1-benzofuran-2-carbonyl)-1-(4-chlorophenyl)-4-hydroxy-2-naphthalen-1-yl-2H-pyrrol-5-one is sourced from PubChem (CID 108677440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).