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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Related Compounds

CID 1484339
CID 1484339
CID 3118515
CID 3118515
CID 24795435
CID 24795435
CID 24795437
CID 24795437
CID 24795572
CID 24795572
CID 25014797
CID 25014797
CID 11368541
CID 11368541
CID 24795430
CID 24795430
CID 24795433
CID 24795433
CID 24795434
CID 24795434
CID 24795571
CID 24795571
CID 24795573
CID 24795573

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).