5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione

C14H12Cl2N2O4 — CID 2411932

IUPAC5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N1CCOCC1
InChIInChI=1S/C14H12Cl2N2O4/c15-10-5-8-9(6-11(10)16)14(21)18(13(8)20)7-12(19)17-1-3-22-4-2-17/h5-6H,1-4,7H2
InChIKeyMGNIEXUQUOCUJZ-UHFFFAOYSA-N
MW343.17 g/mol
LogP1.45
Rot. Bonds2

About 5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione

5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione (PubChem CID 2411932) has the molecular formula C14H12Cl2N2O4 and a molecular weight of 343.17 g/mol. Its IUPAC name is 5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione
PubChem CID2411932
Molecular FormulaC14H12Cl2N2O4
Molecular Weight343.17 g/mol
Exact Mass342.02
IUPAC Name5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N1CCOCC1
InChIInChI=1S/C14H12Cl2N2O4/c15-10-5-8-9(6-11(10)16)14(21)18(13(8)20)7-12(19)17-1-3-22-4-2-17/h5-6H,1-4,7H2
InChIKeyMGNIEXUQUOCUJZ-UHFFFAOYSA-N
XLogP1.45
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.17
LogP ≤ 51.45
H-Bond Donors ≤ 50
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 5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione?
The IUPAC name of 5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione (CID 2411932) is 5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione.
What is the SMILES notation for 5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione?
The canonical SMILES for 5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione is O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)N1CCOCC1.
What is the InChIKey of 5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione?
The InChIKey is MGNIEXUQUOCUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O4/c15-10-5-8-9(6-11(10)16)14(21)18(13(8)20)7-12(19)17-1-3-22-4-2-17/h5-6H,1-4,7H2.
What are the key properties of 5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione?
5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione has a molecular weight of 343.17 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(2-morpholin-4-yl-2-oxoethyl)isoindole-1,3-dione is sourced from PubChem (CID 2411932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).