(3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one

C22H16BrNO3 — CID 6977392

IUPAC(3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
SMILESO=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H16BrNO3/c23-17-10-11-19-18(12-17)22(27,21(26)24-19)13-20(25)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12,27H,13H2,(H,24,26)/t22-/m1/s1
InChIKeyWOSRFLYPNXNMRY-JOCHJYFZSA-N
MW422.28 g/mol
LogP4.53
Rot. Bonds4

About (3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one

(3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one (PubChem CID 6977392) has the molecular formula C22H16BrNO3 and a molecular weight of 422.28 g/mol. Its IUPAC name is (3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
PubChem CID6977392
Molecular FormulaC22H16BrNO3
Molecular Weight422.28 g/mol
Exact Mass421.03
IUPAC Name(3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
SMILESO=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H16BrNO3/c23-17-10-11-19-18(12-17)22(27,21(26)24-19)13-20(25)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12,27H,13H2,(H,24,26)/t22-/m1/s1
InChIKeyWOSRFLYPNXNMRY-JOCHJYFZSA-N
XLogP4.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-5-bromo-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 785764
(3S)-5-ethyl-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one
CID 1075623
5-bromo-3-hydroxy-3-[2-oxo-2-(4-propylphenyl)ethyl]-1H-indol-2-one
CID 3782803
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-3-hydroxy-5-methyl-1H-indol-2-one
CID 1320855
5-bromo-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
CID 2898684
(3S)-5-bromo-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
CID 752249
(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
CID 682358
5-fluoro-3-hydroxy-3-phenacyl-1H-indol-2-one
CID 2944765
(3S)-5-bromo-3-hydroxy-3-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-indol-2-one
CID 40944624
(3R)-3-[2-(3-bromophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2059550
5-bromo-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 2796418
3,5-dihydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 72734849

Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one?
The IUPAC name of (3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one (CID 6977392) is (3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one.
What is the SMILES notation for (3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one?
The canonical SMILES for (3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one is O=C(C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one?
The InChIKey is WOSRFLYPNXNMRY-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H16BrNO3/c23-17-10-11-19-18(12-17)22(27,21(26)24-19)13-20(25)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12,27H,13H2,(H,24,26)/t22-/m1/s1.
What are the key properties of (3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one?
(3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one has a molecular weight of 422.28 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3-hydroxy-3-[2-oxo-2-(4-phenylphenyl)ethyl]-1H-indol-2-one is sourced from PubChem (CID 6977392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).