propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate

C13H11Cl2NO4 — CID 106988552

IUPACpropan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate
SMILESCC(C)OC(=O)CN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C13H11Cl2NO4/c1-6(2)20-9(17)5-16-11-8(15)4-3-7(14)10(11)12(18)13(16)19/h3-4,6H,5H2,1-2H3
InChIKeyVUMZHKOTWOKNTO-UHFFFAOYSA-N
MW316.14 g/mol
LogP2.47
Rot. Bonds3

About propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate

propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate (PubChem CID 106988552) has the molecular formula C13H11Cl2NO4 and a molecular weight of 316.14 g/mol. Its IUPAC name is propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate
PubChem CID106988552
Molecular FormulaC13H11Cl2NO4
Molecular Weight316.14 g/mol
Exact Mass315.01
IUPAC Namepropan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate
SMILESCC(C)OC(=O)CN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C13H11Cl2NO4/c1-6(2)20-9(17)5-16-11-8(15)4-3-7(14)10(11)12(18)13(16)19/h3-4,6H,5H2,1-2H3
InChIKeyVUMZHKOTWOKNTO-UHFFFAOYSA-N
XLogP2.47
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate 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

2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
CID 106988780
4,7-dichloro-1-(2-chloroprop-2-enyl)indole-2,3-dione
CID 106988691
2-[(4,7-dichloro-2,3-dioxoindol-1-yl)methyl]prop-2-enoic acid
CID 106988578
4,7-dichloro-1-[2-(methylaminomethyl)prop-2-enyl]indole-2,3-dione
CID 106989741
4,7-dichloro-1-(3-methylbut-2-enyl)indole-2,3-dione
CID 106988651
4,7-dichloro-1-hexylindole-2,3-dione
CID 106988640
4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione
CID 106988649
methyl 2-(4-chloro-2,3-dioxoindol-1-yl)acetate
CID 61359306
4-chloro-7-fluoro-1-(3-methoxy-2-oxopropyl)indole-2,3-dione
CID 107507737
propan-2-yl 2-[(5E)-5-[(3,5-dichloro-4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 124642140
N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide
CID 61360256
4,7-dichloro-1-(2-methylsulfonylethyl)indole-2,3-dione
CID 106988843

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate (CID 106988552) is propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate is CC(C)OC(=O)CN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate?
The InChIKey is VUMZHKOTWOKNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO4/c1-6(2)20-9(17)5-16-11-8(15)4-3-7(14)10(11)12(18)13(16)19/h3-4,6H,5H2,1-2H3.
What are the key properties of propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate?
propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate has a molecular weight of 316.14 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate is sourced from PubChem (CID 106988552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).