2-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione

C14H14Cl2N2O2 — CID 24795310

IUPAC2-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2/c15-9-3-4-11(10(16)7-9)17-18-12(19)8-14(13(18)20)5-1-2-6-14/h3-4,7,17H,1-2,5-6,8H2
InChIKeyAOGIPIJMOZWSES-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.64
Rot. Bonds2

About 2-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione

2-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 24795310) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID24795310
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name2-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2N2O2/c15-9-3-4-11(10(16)7-9)17-18-12(19)8-14(13(18)20)5-1-2-6-14/h3-4,7,17H,1-2,5-6,8H2
InChIKeyAOGIPIJMOZWSES-UHFFFAOYSA-N
XLogP3.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione (CID 24795310) is 2-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is AOGIPIJMOZWSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c15-9-3-4-11(10(16)7-9)17-18-12(19)8-14(13(18)20)5-1-2-6-14/h3-4,7,17H,1-2,5-6,8H2.
What are the key properties of 2-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione?
2-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 313.18 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 24795310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).