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

C17H13Cl2NO3 — CID 59138374

IUPAC4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1
InChIInChI=1S/C17H13Cl2NO3/c1-9-2-4-10(5-3-9)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22/h2-7,23H,8H2,1H3,(H,20,22)
InChIKeyYLHZKZPXOYZYCO-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.71
Rot. Bonds3

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

4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one (PubChem CID 59138374) has the molecular formula C17H13Cl2NO3 and a molecular weight of 350.20 g/mol. Its IUPAC name is 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one.

Molecular Properties

Compound Name4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
PubChem CID59138374
Molecular FormulaC17H13Cl2NO3
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Name4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1
InChIInChI=1S/C17H13Cl2NO3/c1-9-2-4-10(5-3-9)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22/h2-7,23H,8H2,1H3,(H,20,22)
InChIKeyYLHZKZPXOYZYCO-UHFFFAOYSA-N
XLogP3.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-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

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-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 15991254
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-[2-(4-ethoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 89863703
4,7-dichloro-3-hydroxy-3-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]-1H-indol-2-one
CID 89863710
3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one
CID 326413

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one?
The IUPAC name of 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one (CID 59138374) is 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one.
What is the SMILES notation for 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one?
The canonical SMILES for 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one is Cc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.
What is the InChIKey of 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one?
The InChIKey is YLHZKZPXOYZYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3/c1-9-2-4-10(5-3-9)13(21)8-17(23)14-11(18)6-7-12(19)15(14)20-16(17)22/h2-7,23H,8H2,1H3,(H,20,22).
What are the key properties of 4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one?
4,7-dichloro-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1H-indol-2-one has a molecular weight of 350.20 g/mol, XLogP of 3.71, 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-methylphenyl)-2-oxoethyl]-1H-indol-2-one is sourced from PubChem (CID 59138374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).