5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione

C15H8Cl2N2O3 — CID 1409765

IUPAC5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(/N=C/c3cc(Cl)cc(Cl)c3O)ccc21
InChIInChI=1S/C15H8Cl2N2O3/c16-8-3-7(13(20)12(17)4-8)6-18-9-1-2-10-11(5-9)15(22)19-14(10)21/h1-6,20H,(H,19,21,22)/b18-6+
InChIKeyLFWZPJQAMNHTSB-NGYBGAFCSA-N
MW335.15 g/mol
LogP3.33
Rot. Bonds2

About 5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione

5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione (PubChem CID 1409765) has the molecular formula C15H8Cl2N2O3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
PubChem CID1409765
Molecular FormulaC15H8Cl2N2O3
Molecular Weight335.15 g/mol
Exact Mass333.99
IUPAC Name5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione
SMILESO=C1NC(=O)c2cc(/N=C/c3cc(Cl)cc(Cl)c3O)ccc21
InChIInChI=1S/C15H8Cl2N2O3/c16-8-3-7(13(20)12(17)4-8)6-18-9-1-2-10-11(5-9)15(22)19-14(10)21/h1-6,20H,(H,19,21,22)/b18-6+
InChIKeyLFWZPJQAMNHTSB-NGYBGAFCSA-N
XLogP3.33
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The IUPAC name of 5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione (CID 1409765) is 5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione.
What is the SMILES notation for 5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The canonical SMILES for 5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione is O=C1NC(=O)c2cc(/N=C/c3cc(Cl)cc(Cl)c3O)ccc21.
What is the InChIKey of 5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
The InChIKey is LFWZPJQAMNHTSB-NGYBGAFCSA-N. The full InChI is InChI=1S/C15H8Cl2N2O3/c16-8-3-7(13(20)12(17)4-8)6-18-9-1-2-10-11(5-9)15(22)19-14(10)21/h1-6,20H,(H,19,21,22)/b18-6+.
What are the key properties of 5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione?
5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione has a molecular weight of 335.15 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]isoindole-1,3-dione is sourced from PubChem (CID 1409765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).