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

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Related Compounds

4,7-Dichloro-3-(2-(4-cyclopropylphenyl)-2-oxoethyl)-3-hydroxyindolin-2-one
CID 121268274
5-Chloro-3-hydroxy-3-(trifluoromethyl)indolin-2-one
CID 11836404
3-hydroxy-5-methyl-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one
CID 5734070
4,7-dichloro-3-hydroxy-3-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 71811890
4,7-dichloro-3-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 71811891
4,7-dichloro-3-hydroxy-3-[2-[4-(methylamino)phenyl]-2-oxoethyl]-1H-indol-2-one
CID 71811893
3-Hydroxy-3-phenacyloxindole
CID 99051
5,7-Dichloro-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one
CID 366637
1-allyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2925037
5-chloro-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 15991254
1-(5-chloro-3-hydroxy-2-oxo-1H-indol-3-yl)pentane-2,4-dione
CID 145986568
SARS-CoV-2 Mpro-IN-12
CID 5767392

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).