(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one

C17H14BrNO3 — CID 1320855

IUPAC(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(Br)cc1)C(=O)N2
InChIInChI=1S/C17H14BrNO3/c1-10-2-7-14-13(8-10)17(22,16(21)19-14)9-15(20)11-3-5-12(18)6-4-11/h2-8,22H,9H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyIIEZUJAWODFWBR-QGZVFWFLSA-N
MW360.21 g/mol
LogP3.17
Rot. Bonds3

About (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one

(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one (PubChem CID 1320855) has the molecular formula C17H14BrNO3 and a molecular weight of 360.21 g/mol. Its IUPAC name is (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
PubChem CID1320855
Molecular FormulaC17H14BrNO3
Molecular Weight360.21 g/mol
Exact Mass359.02
IUPAC Name(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
SMILESCc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(Br)cc1)C(=O)N2
InChIInChI=1S/C17H14BrNO3/c1-10-2-7-14-13(8-10)17(22,16(21)19-14)9-15(20)11-3-5-12(18)6-4-11/h2-8,22H,9H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyIIEZUJAWODFWBR-QGZVFWFLSA-N
XLogP3.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
CID 682358
3-hydroxy-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
CID 3149315
5-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2796418
(3R)-5-bromo-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 785764
3,5-dihydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 72734849
(3R)-5-fluoro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425817
(3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
CID 6977392
5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one
CID 3782803
(3R)-3-hydroxy-5-methoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 1425949
5-bromo-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
CID 2898684
(3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one
CID 957709
(3S)-5-bromo-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
CID 752249

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
The IUPAC name of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one (CID 1320855) is (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one.
What is the SMILES notation for (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
The canonical SMILES for (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one is Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(Br)cc1)C(=O)N2.
What is the InChIKey of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
The InChIKey is IIEZUJAWODFWBR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14BrNO3/c1-10-2-7-14-13(8-10)17(22,16(21)19-14)9-15(20)11-3-5-12(18)6-4-11/h2-8,22H,9H2,1H3,(H,19,21)/t17-/m1/s1.
What are the key properties of (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one?
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one has a molecular weight of 360.21 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one is sourced from PubChem (CID 1320855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).