3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one

C24H19BrN2O4 — CID 108646633

IUPAC3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C24H19BrN2O4/c1-2-9-27-21(16-12-26-17-6-4-3-5-15(16)17)20(23(29)24(27)30)22(28)19-11-13-10-14(25)7-8-18(13)31-19/h3-8,10-12,21,26,29H,2,9H2,1H3
InChIKeyLGARWQFVTGDTMO-UHFFFAOYSA-N
MW479.33 g/mol
LogP5.66
Rot. Bonds5

About 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one

3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one (PubChem CID 108646633) has the molecular formula C24H19BrN2O4 and a molecular weight of 479.33 g/mol. Its IUPAC name is 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one
PubChem CID108646633
Molecular FormulaC24H19BrN2O4
Molecular Weight479.33 g/mol
Exact Mass478.05
IUPAC Name3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one
SMILESCCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)C1c1c[nH]c2ccccc12
InChIInChI=1S/C24H19BrN2O4/c1-2-9-27-21(16-12-26-17-6-4-3-5-15(16)17)20(23(29)24(27)30)22(28)19-11-13-10-14(25)7-8-18(13)31-19/h3-8,10-12,21,26,29H,2,9H2,1H3
InChIKeyLGARWQFVTGDTMO-UHFFFAOYSA-N
XLogP5.66
TPSA86.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.33
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-naphthalen-1-yl-1-propyl-2H-pyrrol-5-one
CID 108637554
3-(5-bromo-1-benzofuran-2-carbonyl)-1-(furan-2-ylmethyl)-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108604151
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(dimethylamino)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108646456
3-(5-bromo-1-benzofuran-2-carbonyl)-1-butyl-4-hydroxy-2-(1-methylindol-3-yl)-2H-pyrrol-5-one
CID 108650237
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-(2-propan-2-yloxyethyl)-2H-pyrrol-5-one
CID 108603410
3-(5-chloro-1-benzofuran-2-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-2H-pyrrol-5-one
CID 108695686
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-methylphenyl)-1-propyl-2H-pyrrol-5-one
CID 108620138
3-(5-bromo-1-benzofuran-2-carbonyl)-2-[4-(dimethylamino)phenyl]-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108615907
3-(5-bromo-1-benzofuran-2-carbonyl)-2-[4-(diethylamino)phenyl]-4-hydroxy-1-propyl-2H-pyrrol-5-one
CID 108618224
3-(5-bromo-1-benzofuran-2-carbonyl)-2-(2-fluorophenyl)-4-hydroxy-1-(3-methoxypropyl)-2H-pyrrol-5-one
CID 108645657
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-1-pentyl-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108635063
1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one
CID 108695687

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one?
The IUPAC name of 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one (CID 108646633) is 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one?
The canonical SMILES for 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one is CCCN1C(=O)C(O)=C(C(=O)c2cc3cc(Br)ccc3o2)C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one?
The InChIKey is LGARWQFVTGDTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrN2O4/c1-2-9-27-21(16-12-26-17-6-4-3-5-15(16)17)20(23(29)24(27)30)22(28)19-11-13-10-14(25)7-8-18(13)31-19/h3-8,10-12,21,26,29H,2,9H2,1H3.
What are the key properties of 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one?
3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one has a molecular weight of 479.33 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1-benzofuran-2-carbonyl)-4-hydroxy-2-(1H-indol-3-yl)-1-propyl-2H-pyrrol-5-one is sourced from PubChem (CID 108646633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).