5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

C16H11Cl2NO3 — CID 46360604

IUPAC5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccc(Cl)cc21)c1ccccc1Cl
InChIInChI=1S/C16H11Cl2NO3/c17-9-5-6-13-11(7-9)16(22,15(21)19-13)8-14(20)10-3-1-2-4-12(10)18/h1-7,22H,8H2,(H,19,21)
InChIKeyUGMBGPQBLYVTRH-UHFFFAOYSA-N
MW336.17 g/mol
LogP3.41
Rot. Bonds3

About 5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one

5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (PubChem CID 46360604) has the molecular formula C16H11Cl2NO3 and a molecular weight of 336.17 g/mol. Its IUPAC name is 5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
PubChem CID46360604
Molecular FormulaC16H11Cl2NO3
Molecular Weight336.17 g/mol
Exact Mass335.01
IUPAC Name5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2ccc(Cl)cc21)c1ccccc1Cl
InChIInChI=1S/C16H11Cl2NO3/c17-9-5-6-13-11(7-9)16(22,15(21)19-13)8-14(20)10-3-1-2-4-12(10)18/h1-7,22H,8H2,(H,19,21)
InChIKeyUGMBGPQBLYVTRH-UHFFFAOYSA-N
XLogP3.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.17
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of 5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one (CID 46360604) is 5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is O=C(CC1(O)C(=O)Nc2ccc(Cl)cc21)c1ccccc1Cl.
What is the InChIKey of 5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is UGMBGPQBLYVTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO3/c17-9-5-6-13-11(7-9)16(22,15(21)19-13)8-14(20)10-3-1-2-4-12(10)18/h1-7,22H,8H2,(H,19,21).
What are the key properties of 5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one?
5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 336.17 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 46360604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).