3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one

C24H19BrClNO4 — CID 108641778

IUPAC3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(C2CCCC2)C1c1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C24H19BrClNO4/c25-15-7-10-18-14(11-15)12-19(31-18)22(28)20-21(13-5-8-16(26)9-6-13)27(24(30)23(20)29)17-3-1-2-4-17/h5-12,17,21,29H,1-4H2
InChIKeySDNIVLFHLOKEQO-UHFFFAOYSA-N
MW500.78 g/mol
LogP6.37
Rot. Bonds4

About 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one

3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one (PubChem CID 108641778) has the molecular formula C24H19BrClNO4 and a molecular weight of 500.78 g/mol. Its IUPAC name is 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one
PubChem CID108641778
Molecular FormulaC24H19BrClNO4
Molecular Weight500.78 g/mol
Exact Mass499.02
IUPAC Name3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(C2CCCC2)C1c1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C24H19BrClNO4/c25-15-7-10-18-14(11-15)12-19(31-18)22(28)20-21(13-5-8-16(26)9-6-13)27(24(30)23(20)29)17-3-1-2-4-17/h5-12,17,21,29H,1-4H2
InChIKeySDNIVLFHLOKEQO-UHFFFAOYSA-N
XLogP6.37
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.78
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108634619
3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclopentyl-4-hydroxy-2-(3-methylphenyl)-2H-pyrrol-5-one
CID 108620483
3-(5-chloro-1-benzofuran-2-carbonyl)-1-cyclohexyl-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108660259
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3,5-dichlorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108669180
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-(3-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108600043
3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108643046
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(2,5-difluorophenyl)-2-(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108601594
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-chlorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 108582708
3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-(4-ethylphenyl)-4-hydroxy-2H-pyrrol-5-one
CID 108649440
3-(1-benzofuran-2-carbonyl)-1-cyclohexyl-2-[4-(dimethylamino)phenyl]-4-hydroxy-2H-pyrrol-5-one
CID 108581630
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-bromophenyl)-4-hydroxy-1-phenyl-2H-pyrrol-5-one
CID 108687409
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(3-chloro-4-fluorophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 108598404

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one (CID 108641778) is 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(C2CCCC2)C1c1ccc(Cl)cc1)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is SDNIVLFHLOKEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrClNO4/c25-15-7-10-18-14(11-15)12-19(31-18)22(28)20-21(13-5-8-16(26)9-6-13)27(24(30)23(20)29)17-3-1-2-4-17/h5-12,17,21,29H,1-4H2.
What are the key properties of 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one?
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 500.78 g/mol, XLogP of 6.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-benzofuran-2-carbonyl)-2-(4-chlorophenyl)-1-cyclopentyl-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 108641778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).