2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide

C14H14Cl2N2O3 — CID 106988780

IUPAC2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C14H14Cl2N2O3/c1-7(2)5-17-10(19)6-18-12-9(16)4-3-8(15)11(12)13(20)14(18)21/h3-4,7H,5-6H2,1-2H3,(H,17,19)
InChIKeyWRYRJPMPMVUGHA-UHFFFAOYSA-N
MW329.18 g/mol
LogP2.29
Rot. Bonds4

About 2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide

2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide (PubChem CID 106988780) has the molecular formula C14H14Cl2N2O3 and a molecular weight of 329.18 g/mol. Its IUPAC name is 2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
PubChem CID106988780
Molecular FormulaC14H14Cl2N2O3
Molecular Weight329.18 g/mol
Exact Mass328.04
IUPAC Name2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C14H14Cl2N2O3/c1-7(2)5-17-10(19)6-18-12-9(16)4-3-8(15)11(12)13(20)14(18)21/h3-4,7H,5-6H2,1-2H3,(H,17,19)
InChIKeyWRYRJPMPMVUGHA-UHFFFAOYSA-N
XLogP2.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4,7-dimethyl-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide
CID 61355309
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
propan-2-yl 2-(4,7-dichloro-2,3-dioxoindol-1-yl)acetate
CID 106988552
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 113201438
N-butan-2-yl-2-(4-chloro-7-fluoro-2,3-dioxoindol-1-yl)acetamide
CID 61360256
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-hexylindole-2,3-dione
CID 106988640
4,7-dichloro-1-(2-methylsulfonylethyl)indole-2,3-dione
CID 106988843
4,7-dichloro-1-(3-methylbut-2-enyl)indole-2,3-dione
CID 106988651
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 27539267
4,7-dichloro-1-(5-hydroxypentyl)indole-2,3-dione
CID 106988649

Frequently Asked Questions

What is the IUPAC name of 2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide (CID 106988780) is 2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1C(=O)C(=O)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is WRYRJPMPMVUGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O3/c1-7(2)5-17-10(19)6-18-12-9(16)4-3-8(15)11(12)13(20)14(18)21/h3-4,7H,5-6H2,1-2H3,(H,17,19).
What are the key properties of 2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide?
2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 329.18 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,7-dichloro-2,3-dioxoindol-1-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 106988780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).