4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one

C16H10Cl2INO3 — CID 59138368

IUPAC4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(I)cc1
InChIInChI=1S/C16H10Cl2INO3/c17-10-5-6-11(18)14-13(10)16(23,15(22)20-14)7-12(21)8-1-3-9(19)4-2-8/h1-6,23H,7H2,(H,20,22)
InChIKeyQRIIDYHUEKDUCU-UHFFFAOYSA-N
MW462.07 g/mol
LogP4.01
Rot. Bonds3

About 4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one

4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 59138368) has the molecular formula C16H10Cl2INO3 and a molecular weight of 462.07 g/mol. Its IUPAC name is 4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one
PubChem CID59138368
Molecular FormulaC16H10Cl2INO3
Molecular Weight462.07 g/mol
Exact Mass460.91
IUPAC Name4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one
SMILESO=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(I)cc1
InChIInChI=1S/C16H10Cl2INO3/c17-10-5-6-11(18)14-13(10)16(23,15(22)20-14)7-12(21)8-1-3-9(19)4-2-8/h1-6,23H,7H2,(H,20,22)
InChIKeyQRIIDYHUEKDUCU-UHFFFAOYSA-N
XLogP4.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.07
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,7-Dichloro-3-(2-(4-cyclopropylphenyl)-2-oxoethyl)-3-hydroxyindolin-2-one
CID 121268274
4,7-Dichloro-3-hydroxy-3-(2-(4-methoxyphenyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one
CID 44632017
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
5,7-Dichloro-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one
CID 366637
5-Chloro-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-2,3-dihydro-1H-indol-2-one
CID 46360604
3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 326411
4,7-dichloro-3-hydroxy-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-2-one
CID 89863710
5,7-dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
CID 366721
4-chloro-3-[2-(4-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 3152131
3-[2-(4-bromophenyl)-2-oxoethyl]-4-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one
CID 2938766

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of 4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one (CID 59138368) is 4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for 4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for 4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one is O=C(CC1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(I)cc1.
What is the InChIKey of 4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is QRIIDYHUEKDUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2INO3/c17-10-5-6-11(18)14-13(10)16(23,15(22)20-14)7-12(21)8-1-3-9(19)4-2-8/h1-6,23H,7H2,(H,20,22).
What are the key properties of 4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one?
4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 462.07 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-3-hydroxy-3-[2-(4-iodophenyl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 59138368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).