2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione

C15H8Cl2N2O2 — CID 5392488

IUPAC2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H8Cl2N2O2/c16-10-6-5-9(13(17)7-10)8-18-19-14(20)11-3-1-2-4-12(11)15(19)21/h1-8H/b18-8-
InChIKeyBKNJQKPGLWXENM-LSCVHKIXSA-N
MW319.15 g/mol
LogP3.62
Rot. Bonds2

About 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione

2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 5392488) has the molecular formula C15H8Cl2N2O2 and a molecular weight of 319.15 g/mol. Its IUPAC name is 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione
PubChem CID5392488
Molecular FormulaC15H8Cl2N2O2
Molecular Weight319.15 g/mol
Exact Mass318.00
IUPAC Name2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1/N=C\c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H8Cl2N2O2/c16-10-6-5-9(13(17)7-10)8-18-19-14(20)11-3-1-2-4-12(11)15(19)21/h1-8H/b18-8-
InChIKeyBKNJQKPGLWXENM-LSCVHKIXSA-N
XLogP3.62
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione (CID 5392488) is 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1/N=C\c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is BKNJQKPGLWXENM-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H8Cl2N2O2/c16-10-6-5-9(13(17)7-10)8-18-19-14(20)11-3-1-2-4-12(11)15(19)21/h1-8H/b18-8-.
What are the key properties of 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione?
2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 319.15 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2,4-dichlorophenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 5392488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).