2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione

C16H19ClN2O2 — CID 24795571

IUPAC2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione
SMILESCC1CCCCC12CC(=O)N(Nc1ccccc1Cl)C2=O
InChIInChI=1S/C16H19ClN2O2/c1-11-6-4-5-9-16(11)10-14(20)19(15(16)21)18-13-8-3-2-7-12(13)17/h2-3,7-8,11,18H,4-6,9-10H2,1H3
InChIKeyYYIKCNDPOZPFSI-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.62
Rot. Bonds2

About 2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione

2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 24795571) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione
PubChem CID24795571
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione
SMILESCC1CCCCC12CC(=O)N(Nc1ccccc1Cl)C2=O
InChIInChI=1S/C16H19ClN2O2/c1-11-6-4-5-9-16(11)10-14(20)19(15(16)21)18-13-8-3-2-7-12(13)17/h2-3,7-8,11,18H,4-6,9-10H2,1H3
InChIKeyYYIKCNDPOZPFSI-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione (CID 24795571) is 2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione is CC1CCCCC12CC(=O)N(Nc1ccccc1Cl)C2=O.
What is the InChIKey of 2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is YYIKCNDPOZPFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-11-6-4-5-9-16(11)10-14(20)19(15(16)21)18-13-8-3-2-7-12(13)17/h2-3,7-8,11,18H,4-6,9-10H2,1H3.
What are the key properties of 2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione?
2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 306.79 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 24795571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).