5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one

C23H20BrNO4 — CID 2946064

IUPAC5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)o1
InChIInChI=1S/C23H20BrNO4/c1-15-7-10-21(29-15)20(26)14-23(28)18-13-17(24)8-9-19(18)25(22(23)27)12-11-16-5-3-2-4-6-16/h2-10,13,28H,11-12,14H2,1H3
InChIKeyHFTYVGIWIKMWGB-UHFFFAOYSA-N
MW454.32 g/mol
LogP4.40
Rot. Bonds6

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

5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one (PubChem CID 2946064) has the molecular formula C23H20BrNO4 and a molecular weight of 454.32 g/mol. Its IUPAC name is 5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one.

Molecular Properties

Compound Name5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
PubChem CID2946064
Molecular FormulaC23H20BrNO4
Molecular Weight454.32 g/mol
Exact Mass453.06
IUPAC Name5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)o1
InChIInChI=1S/C23H20BrNO4/c1-15-7-10-21(29-15)20(26)14-23(28)18-13-17(24)8-9-19(18)25(22(23)27)12-11-16-5-3-2-4-6-16/h2-10,13,28H,11-12,14H2,1H3
InChIKeyHFTYVGIWIKMWGB-UHFFFAOYSA-N
XLogP4.40
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.32
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 3481662
1-(4-chlorobenzyl)-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2914136
1-(2-chlorobenzyl)-3-[2-(2-furyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2916185
3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 3798162
ethyl {3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
CID 2885014
1-benzyl-3-hydroxy-3-[2-(5-methyl-2-furyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
CID 2945500
1-(2-chlorobenzyl)-3-hydroxy-3-[2-(5-methyl-2-furyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one
CID 2945791
3-[2-(2,4-Dimethyl-3-furanyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-2-indolone
CID 2956238
1-allyl-5-bromo-3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2967912
5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 2961237
5-bromo-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-indol-2-one
CID 2938115
5-bromo-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 4578846

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The IUPAC name of 5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one (CID 2946064) is 5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one.
What is the SMILES notation for 5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The canonical SMILES for 5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one is Cc1ccc(C(=O)CC2(O)C(=O)N(CCc3ccccc3)c3ccc(Br)cc32)o1.
What is the InChIKey of 5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
The InChIKey is HFTYVGIWIKMWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrNO4/c1-15-7-10-21(29-15)20(26)14-23(28)18-13-17(24)8-9-19(18)25(22(23)27)12-11-16-5-3-2-4-6-16/h2-10,13,28H,11-12,14H2,1H3.
What are the key properties of 5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one?
5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one has a molecular weight of 454.32 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-(2-phenylethyl)indol-2-one is sourced from PubChem (CID 2946064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).