3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one

C21H16INO3 — CID 152724333

IUPAC3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
SMILESCN1C(=O)C(O)(CC(=O)c2ccc3ccccc3c2)c2cc(I)ccc21
InChIInChI=1S/C21H16INO3/c1-23-18-9-8-16(22)11-17(18)21(26,20(23)25)12-19(24)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,26H,12H2,1H3
InChIKeyZWGYXRWJXWWEIB-UHFFFAOYSA-N
MW457.27 g/mol
LogP3.88
Rot. Bonds3

About 3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one

3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one (PubChem CID 152724333) has the molecular formula C21H16INO3 and a molecular weight of 457.27 g/mol. Its IUPAC name is 3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one.

Molecular Properties

Compound Name3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
PubChem CID152724333
Molecular FormulaC21H16INO3
Molecular Weight457.27 g/mol
Exact Mass457.02
IUPAC Name3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
SMILESCN1C(=O)C(O)(CC(=O)c2ccc3ccccc3c2)c2cc(I)ccc21
InChIInChI=1S/C21H16INO3/c1-23-18-9-8-16(22)11-17(18)21(26,20(23)25)12-19(24)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,26H,12H2,1H3
InChIKeyZWGYXRWJXWWEIB-UHFFFAOYSA-N
XLogP3.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.27
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)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

5-fluoro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 151072238
7-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 150804057
5-bromo-1-butyl-3-hydroxy-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 17077544
(3S)-3-hydroxy-1-methyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one
CID 772929
(3R)-5-chloro-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 7282002
3-hydroxy-1-(2-methylpropyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 45259080
(3S)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 1255704
(3R)-3-hydroxy-1-(2-methylprop-2-enyl)-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one
CID 1255705
3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 2883376
(3S)-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-1-methylindol-2-one
CID 791129
(3R)-3-hydroxy-1-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 798655
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1-methylindol-2-one
CID 1259023

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
The IUPAC name of 3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one (CID 152724333) is 3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one.
What is the SMILES notation for 3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
The canonical SMILES for 3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one is CN1C(=O)C(O)(CC(=O)c2ccc3ccccc3c2)c2cc(I)ccc21.
What is the InChIKey of 3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
The InChIKey is ZWGYXRWJXWWEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16INO3/c1-23-18-9-8-16(22)11-17(18)21(26,20(23)25)12-19(24)15-7-6-13-4-2-3-5-14(13)10-15/h2-11,26H,12H2,1H3.
What are the key properties of 3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one?
3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one has a molecular weight of 457.27 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-iodo-1-methyl-3-(2-naphthalen-2-yl-2-oxoethyl)indol-2-one is sourced from PubChem (CID 152724333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).