3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione

C18H20Cl3NO3 — CID 58672557

IUPAC3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
SMILESCCc1cc(Cl)cc(Cl)c1C1(Cl)C(=O)NC2(CCC(OC)CC2)C1=O
InChIInChI=1S/C18H20Cl3NO3/c1-3-10-8-11(19)9-13(20)14(10)18(21)15(23)17(22-16(18)24)6-4-12(25-2)5-7-17/h8-9,12H,3-7H2,1-2H3,(H,22,24)
InChIKeyKYAXANAGUDSMGQ-UHFFFAOYSA-N
MW404.72 g/mol
LogP4.02
Rot. Bonds3

About 3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione

3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione (PubChem CID 58672557) has the molecular formula C18H20Cl3NO3 and a molecular weight of 404.72 g/mol. Its IUPAC name is 3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
PubChem CID58672557
Molecular FormulaC18H20Cl3NO3
Molecular Weight404.72 g/mol
Exact Mass403.05
IUPAC Name3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione
SMILESCCc1cc(Cl)cc(Cl)c1C1(Cl)C(=O)NC2(CCC(OC)CC2)C1=O
InChIInChI=1S/C18H20Cl3NO3/c1-3-10-8-11(19)9-13(20)14(10)18(21)15(23)17(22-16(18)24)6-4-12(25-2)5-7-17/h8-9,12H,3-7H2,1-2H3,(H,22,24)
InChIKeyKYAXANAGUDSMGQ-UHFFFAOYSA-N
XLogP4.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.72
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-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 3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione (CID 58672557) is 3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione is CCc1cc(Cl)cc(Cl)c1C1(Cl)C(=O)NC2(CCC(OC)CC2)C1=O.
What is the InChIKey of 3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione?
The InChIKey is KYAXANAGUDSMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl3NO3/c1-3-10-8-11(19)9-13(20)14(10)18(21)15(23)17(22-16(18)24)6-4-12(25-2)5-7-17/h8-9,12H,3-7H2,1-2H3,(H,22,24).
What are the key properties of 3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione?
3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione has a molecular weight of 404.72 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-(2,4-dichloro-6-ethylphenyl)-8-methoxy-1-azaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 58672557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).