1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one

C22H17BrN2O3 — CID 2968599

IUPAC1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cccnc1
InChIInChI=1S/C22H17BrN2O3/c23-17-8-9-19-18(11-17)22(28,12-20(26)16-7-4-10-24-13-16)21(27)25(19)14-15-5-2-1-3-6-15/h1-11,13,28H,12,14H2
InChIKeyVKWPILKTHLHRPZ-UHFFFAOYSA-N
MW437.29 g/mol
LogP3.85
Rot. Bonds5

About 1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one

1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one (PubChem CID 2968599) has the molecular formula C22H17BrN2O3 and a molecular weight of 437.29 g/mol. Its IUPAC name is 1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one.

Molecular Properties

Compound Name1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
PubChem CID2968599
Molecular FormulaC22H17BrN2O3
Molecular Weight437.29 g/mol
Exact Mass436.04
IUPAC Name1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
SMILESO=C(CC1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cccnc1
InChIInChI=1S/C22H17BrN2O3/c23-17-8-9-19-18(11-17)22(28,12-20(26)16-7-4-10-24-13-16)21(27)25(19)14-15-5-2-1-3-6-15/h1-11,13,28H,12,14H2
InChIKeyVKWPILKTHLHRPZ-UHFFFAOYSA-N
XLogP3.85
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2H-Indol-2-one, 1,3-dihydro-5-bromo-3-hydroxy-3-(2-pyridinylmethyl)-
CID 57491
3-Hydroxy-1-methyl-3-(2-oxo-2-pyridin-4-ylethyl)indol-2-one
CID 2929993
1-benzyl-3-hydroxy-3-[2-oxo-2-(4-pyridinyl)ethyl]-1,3-dihydro-2H-indol-2-one
CID 2998832
3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 5293403
5-bromo-3-hydroxy-3-[2-oxo-2-(pyridin-3-yl)ethyl]-1-(thiophen-2-ylmethyl)-1,3-dihydro-2H-indol-2-one
CID 17131327
3-Hydroxy-3-(2-oxo-2-pyridin-3-yl-ethyl)-1,3-dihydro-indol-2-one
CID 652446
1-Butyl-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 2944160
3-Hydroxy-1-(naphthalen-1-ylmethyl)-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one
CID 2957285
5-bromo-3-hydroxy-3-(4-pyridinylmethyl)-1,3-dihydro-2H-indol-2-one
CID 2727852
3-hydroxy-1-(2-methylbenzyl)-3-[2-oxo-2-(pyridin-4-yl)ethyl]-1,3-dihydro-2H-indol-2-one
CID 2927717
3-hydroxy-3-[2-oxo-2-(pyridin-2-yl)ethyl]-1-(prop-2-en-1-yl)-1,3-dihydro-2H-indol-2-one
CID 2945301
3-hydroxy-1-methyl-3-{2-oxo-2-[3-(1H-pyrrol-1-yl)phenyl]ethyl}-1,3-dihydro-2H-indol-2-one
CID 2957988

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?
The IUPAC name of 1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one (CID 2968599) is 1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one.
What is the SMILES notation for 1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?
The canonical SMILES for 1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one is O=C(CC1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cccnc1.
What is the InChIKey of 1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?
The InChIKey is VKWPILKTHLHRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN2O3/c23-17-8-9-19-18(11-17)22(28,12-20(26)16-7-4-10-24-13-16)21(27)25(19)14-15-5-2-1-3-6-15/h1-11,13,28H,12,14H2.
What are the key properties of 1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one?
1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one has a molecular weight of 437.29 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-bromo-3-hydroxy-3-(2-oxo-2-pyridin-3-ylethyl)indol-2-one is sourced from PubChem (CID 2968599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).