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

C16H12BrNO3 — CID 2059550

IUPAC(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESO=C(C[C@]1(O)C(=O)Nc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C16H12BrNO3/c17-11-5-3-4-10(8-11)14(19)9-16(21)12-6-1-2-7-13(12)18-15(16)20/h1-8,21H,9H2,(H,18,20)/t16-/m1/s1
InChIKeyNCBNKPXGPUILPZ-MRXNPFEDSA-N
MW346.18 g/mol
LogP2.86
Rot. Bonds3

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

(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (PubChem CID 2059550) has the molecular formula C16H12BrNO3 and a molecular weight of 346.18 g/mol. Its IUPAC name is (3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
PubChem CID2059550
Molecular FormulaC16H12BrNO3
Molecular Weight346.18 g/mol
Exact Mass345.00
IUPAC Name(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESO=C(C[C@]1(O)C(=O)Nc2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C16H12BrNO3/c17-11-5-3-4-10(8-11)14(19)9-16(21)12-6-1-2-7-13(12)18-15(16)20/h1-8,21H,9H2,(H,18,20)/t16-/m1/s1
InChIKeyNCBNKPXGPUILPZ-MRXNPFEDSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.18
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-5-bromo-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 785764
N-[3-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]methanesulfonamide
CID 1091979
(3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
CID 6977392
(3S)-3-hydroxy-3-[2-oxo-2-[3-(tetrazol-1-yl)phenyl]ethyl]-1H-indol-2-one
CID 717939
N-[3-[2-[(3R)-3-hydroxy-2-oxo-1H-indol-3-yl]acetyl]phenyl]-4-methylbenzenesulfonamide
CID 2134198
(3S)-3-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 806524
(3S)-3-[2-(9H-fluoren-2-yl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 27183391
3-hydroxy-3-[2-oxo-2-(2,3,4,5,6-pentamethylphenyl)ethyl]-1H-indol-2-one
CID 3838372
(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
CID 682358
(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
CID 696392
5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one
CID 3782803
(3R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 1425587

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (CID 2059550) is (3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is O=C(C[C@]1(O)C(=O)Nc2ccccc21)c1cccc(Br)c1.
What is the InChIKey of (3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is NCBNKPXGPUILPZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H12BrNO3/c17-11-5-3-4-10(8-11)14(19)9-16(21)12-6-1-2-7-13(12)18-15(16)20/h1-8,21H,9H2,(H,18,20)/t16-/m1/s1.
What are the key properties of (3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 346.18 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 2059550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).