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

C16H12Cl2N2O3 — CID 59138372

IUPAC3-[2-(4-aminophenyl)-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one
SMILESNc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1
InChIInChI=1S/C16H12Cl2N2O3/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,7,19H2,(H,20,22)
InChIKeyGVXCAUGQVPJPQN-UHFFFAOYSA-N
MW351.19 g/mol
LogP2.99
Rot. Bonds3

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

3-[2-(4-aminophenyl)-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one (PubChem CID 59138372) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is 3-[2-(4-aminophenyl)-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name3-[2-(4-aminophenyl)-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one
PubChem CID59138372
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Name3-[2-(4-aminophenyl)-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one
SMILESNc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1
InChIInChI=1S/C16H12Cl2N2O3/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,7,19H2,(H,20,22)
InChIKeyGVXCAUGQVPJPQN-UHFFFAOYSA-N
XLogP2.99
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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
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
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminophenyl)-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one?
The IUPAC name of 3-[2-(4-aminophenyl)-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one (CID 59138372) is 3-[2-(4-aminophenyl)-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for 3-[2-(4-aminophenyl)-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one?
The canonical SMILES for 3-[2-(4-aminophenyl)-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one is Nc1ccc(C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c32)cc1.
What is the InChIKey of 3-[2-(4-aminophenyl)-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one?
The InChIKey is GVXCAUGQVPJPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/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,7,19H2,(H,20,22).
What are the key properties of 3-[2-(4-aminophenyl)-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one?
3-[2-(4-aminophenyl)-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one has a molecular weight of 351.19 g/mol, XLogP of 2.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminophenyl)-2-oxoethyl]-4,7-dichloro-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 59138372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).