2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide

C14H14Cl2N2O4 — CID 17419609

IUPAC2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C14H14Cl2N2O4/c1-7(6-22-2)17-12(19)5-18-13(20)8-3-10(15)11(16)4-9(8)14(18)21/h3-4,7H,5-6H2,1-2H3,(H,17,19)
InChIKeyJMUKKSRJSHREBC-UHFFFAOYSA-N
MW345.18 g/mol
LogP1.74
Rot. Bonds5

About 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide

2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 17419609) has the molecular formula C14H14Cl2N2O4 and a molecular weight of 345.18 g/mol. Its IUPAC name is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID17419609
Molecular FormulaC14H14Cl2N2O4
Molecular Weight345.18 g/mol
Exact Mass344.03
IUPAC Name2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O
InChIInChI=1S/C14H14Cl2N2O4/c1-7(6-22-2)17-12(19)5-18-13(20)8-3-10(15)11(16)4-9(8)14(18)21/h3-4,7H,5-6H2,1-2H3,(H,17,19)
InChIKeyJMUKKSRJSHREBC-UHFFFAOYSA-N
XLogP1.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide (CID 17419609) is 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O.
What is the InChIKey of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is JMUKKSRJSHREBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O4/c1-7(6-22-2)17-12(19)5-18-13(20)8-3-10(15)11(16)4-9(8)14(18)21/h3-4,7H,5-6H2,1-2H3,(H,17,19).
What are the key properties of 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide?
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 345.18 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 17419609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).