2-(2,4-dichloroanilino)-2-azaspiro[4.5]decane-1,3-dione

C15H16Cl2N2O2 — CID 24795437

IUPAC2-(2,4-dichloroanilino)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O2/c16-10-4-5-12(11(17)8-10)18-19-13(20)9-15(14(19)21)6-2-1-3-7-15/h4-5,8,18H,1-3,6-7,9H2
InChIKeyRKUQVYCJXCNSFA-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.03
Rot. Bonds2

About 2-(2,4-dichloroanilino)-2-azaspiro[4.5]decane-1,3-dione

2-(2,4-dichloroanilino)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 24795437) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID24795437
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name2-(2,4-dichloroanilino)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O2/c16-10-4-5-12(11(17)8-10)18-19-13(20)9-15(14(19)21)6-2-1-3-7-15/h4-5,8,18H,1-3,6-7,9H2
InChIKeyRKUQVYCJXCNSFA-UHFFFAOYSA-N
XLogP4.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.03
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[4.5]decane-1,3-dione?
The IUPAC name of 2-(2,4-dichloroanilino)-2-azaspiro[4.5]decane-1,3-dione (CID 24795437) is 2-(2,4-dichloroanilino)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(2,4-dichloroanilino)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(2,4-dichloroanilino)-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCCC2)C(=O)N1Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichloroanilino)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is RKUQVYCJXCNSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c16-10-4-5-12(11(17)8-10)18-19-13(20)9-15(14(19)21)6-2-1-3-7-15/h4-5,8,18H,1-3,6-7,9H2.
What are the key properties of 2-(2,4-dichloroanilino)-2-azaspiro[4.5]decane-1,3-dione?
2-(2,4-dichloroanilino)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 327.21 g/mol, XLogP of 4.03, 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[4.5]decane-1,3-dione is sourced from PubChem (CID 24795437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).