2-(2,4-dichloroanilino)-7-methyl-2-azaspiro[4.5]decane-1,3-dione

C16H18Cl2N2O2 — CID 24795573

IUPAC2-(2,4-dichloroanilino)-7-methyl-2-azaspiro[4.5]decane-1,3-dione
SMILESCC1CCCC2(CC(=O)N(Nc3ccc(Cl)cc3Cl)C2=O)C1
InChIInChI=1S/C16H18Cl2N2O2/c1-10-3-2-6-16(8-10)9-14(21)20(15(16)22)19-13-5-4-11(17)7-12(13)18/h4-5,7,10,19H,2-3,6,8-9H2,1H3
InChIKeyKMPYMLCZTFQZON-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.28
Rot. Bonds2

About 2-(2,4-dichloroanilino)-7-methyl-2-azaspiro[4.5]decane-1,3-dione

2-(2,4-dichloroanilino)-7-methyl-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 24795573) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-7-methyl-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-7-methyl-2-azaspiro[4.5]decane-1,3-dione
PubChem CID24795573
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC Name2-(2,4-dichloroanilino)-7-methyl-2-azaspiro[4.5]decane-1,3-dione
SMILESCC1CCCC2(CC(=O)N(Nc3ccc(Cl)cc3Cl)C2=O)C1
InChIInChI=1S/C16H18Cl2N2O2/c1-10-3-2-6-16(8-10)9-14(21)20(15(16)22)19-13-5-4-11(17)7-12(13)18/h4-5,7,10,19H,2-3,6,8-9H2,1H3
InChIKeyKMPYMLCZTFQZON-UHFFFAOYSA-N
XLogP4.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 54.28
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

N'-(2,4-dichlorophenyl)adamantane-1-carbohydrazide
CID 24865007
2-(2,4-Dichloroanilino)-2-azaspiro[4.4]nonane-1,3-dione
CID 24795310
3-(4-Chlorophenyl)-1-(2,4-dichloroanilino)pyrrole-2,5-dione
CID 1484337
1-(2,4-dichloroanilino)-3-phenyl-1H-pyrrole-2,5-dione
CID 1484339
2-(2-Chloroanilino)-2-azaspiro[4.4]nonane-1,3-dione
CID 24795435
2-(2,4-Dichloroanilino)-2-azaspiro[4.5]decane-1,3-dione
CID 24795437
2-(2,4-Dichloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione
CID 24795572
1-(2,4-Dichloroanilino)-3-methyl-3-propylpyrrolidine-2,5-dione
CID 25014797
2-(2-Chloroanilino)-2-azaspiro[4.5]decane-1,3-dione
CID 24795430
2-(2,4-Dichloroanilino)-8-methyl-2-azaspiro[4.5]decane-1,3-dione
CID 24795433
3-Cyclohexyl-1-(2,4-dichloroanilino)pyrrolidine-2,5-dione
CID 24795434
2-(2-Chloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione
CID 24795571

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-7-methyl-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(2,4-dichloroanilino)-7-methyl-2-azaspiro[4.5]decane-1,3-dione (CID 24795573) is 2-(2,4-dichloroanilino)-7-methyl-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(2,4-dichloroanilino)-7-methyl-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(2,4-dichloroanilino)-7-methyl-2-azaspiro[4.5]decane-1,3-dione is CC1CCCC2(CC(=O)N(Nc3ccc(Cl)cc3Cl)C2=O)C1.
What is the InChIKey of 2-(2,4-dichloroanilino)-7-methyl-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is KMPYMLCZTFQZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c1-10-3-2-6-16(8-10)9-14(21)20(15(16)22)19-13-5-4-11(17)7-12(13)18/h4-5,7,10,19H,2-3,6,8-9H2,1H3.
What are the key properties of 2-(2,4-dichloroanilino)-7-methyl-2-azaspiro[4.5]decane-1,3-dione?
2-(2,4-dichloroanilino)-7-methyl-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 341.24 g/mol, XLogP of 4.28, 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)-7-methyl-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 24795573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).