(3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one

C18H18BrNO4 — CID 7275939

IUPAC(3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one
SMILESCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)o2)c2cc(Br)ccc21
InChIInChI=1S/C18H18BrNO4/c1-3-8-20-14-6-5-12(19)9-13(14)18(23,17(20)22)10-15(21)16-7-4-11(2)24-16/h4-7,9,23H,3,8,10H2,1-2H3/t18-/m1/s1
InChIKeyRVTLTFASZXUPAZ-GOSISDBHSA-N
MW392.25 g/mol
LogP3.57
Rot. Bonds5

About (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one

(3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one (PubChem CID 7275939) has the molecular formula C18H18BrNO4 and a molecular weight of 392.25 g/mol. Its IUPAC name is (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one.

Molecular Properties

Compound Name(3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one
PubChem CID7275939
Molecular FormulaC18H18BrNO4
Molecular Weight392.25 g/mol
Exact Mass391.04
IUPAC Name(3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one
SMILESCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)o2)c2cc(Br)ccc21
InChIInChI=1S/C18H18BrNO4/c1-3-8-20-14-6-5-12(19)9-13(14)18(23,17(20)22)10-15(21)16-7-4-11(2)24-16/h4-7,9,23H,3,8,10H2,1-2H3/t18-/m1/s1
InChIKeyRVTLTFASZXUPAZ-GOSISDBHSA-N
XLogP3.57
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one with MolForge

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Related Compounds

(3R)-5-bromo-3-hydroxy-3-phenacyl-1-propylindol-2-one
CID 7357384
(3S)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-[(2-methyl-5-propan-2-ylphenyl)methyl]indol-2-one
CID 1425751
5-bromo-3-hydroxy-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]-1-propylindol-2-one
CID 5235892
(3R)-5-bromo-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
CID 7013573
(3R)-5-bromo-3-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
CID 7281039
5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-propylindol-2-one
CID 4637449
(3R)-5-bromo-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-propylindol-2-one
CID 40873799
3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
CID 3486846
(3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1H-indol-2-one
CID 1328583
(3S)-5-bromo-1-butyl-3-hydroxy-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]indol-2-one
CID 40873861
5-bromo-1-butyl-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]indol-2-one
CID 3419310
(3S)-5-bromo-1-butyl-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]indol-2-one
CID 98241999

Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one?
The IUPAC name of (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one (CID 7275939) is (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one.
What is the SMILES notation for (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one?
The canonical SMILES for (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one is CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)o2)c2cc(Br)ccc21.
What is the InChIKey of (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one?
The InChIKey is RVTLTFASZXUPAZ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18BrNO4/c1-3-8-20-14-6-5-12(19)9-13(14)18(23,17(20)22)10-15(21)16-7-4-11(2)24-16/h4-7,9,23H,3,8,10H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one?
(3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one has a molecular weight of 392.25 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propylindol-2-one is sourced from PubChem (CID 7275939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).