2-(2,4-dichloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione

C16H18Cl2N2O2 — CID 24795572

IUPAC2-(2,4-dichloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione
SMILESCC1CCCCC12CC(=O)N(Nc1ccc(Cl)cc1Cl)C2=O
InChIInChI=1S/C16H18Cl2N2O2/c1-10-4-2-3-7-16(10)9-14(21)20(15(16)22)19-13-6-5-11(17)8-12(13)18/h5-6,8,10,19H,2-4,7,9H2,1H3
InChIKeyVYEYDYUNTJWMSG-UHFFFAOYSA-N
MW341.24 g/mol
LogP4.28
Rot. Bonds2

About 2-(2,4-dichloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione

2-(2,4-dichloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 24795572) has the molecular formula C16H18Cl2N2O2 and a molecular weight of 341.24 g/mol. Its IUPAC name is 2-(2,4-dichloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(2,4-dichloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione
PubChem CID24795572
Molecular FormulaC16H18Cl2N2O2
Molecular Weight341.24 g/mol
Exact Mass340.07
IUPAC Name2-(2,4-dichloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione
SMILESCC1CCCCC12CC(=O)N(Nc1ccc(Cl)cc1Cl)C2=O
InChIInChI=1S/C16H18Cl2N2O2/c1-10-4-2-3-7-16(10)9-14(21)20(15(16)22)19-13-6-5-11(17)8-12(13)18/h5-6,8,10,19H,2-4,7,9H2,1H3
InChIKeyVYEYDYUNTJWMSG-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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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(2,4-dichloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione (CID 24795572) is 2-(2,4-dichloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(2,4-dichloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(2,4-dichloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione is CC1CCCCC12CC(=O)N(Nc1ccc(Cl)cc1Cl)C2=O.
What is the InChIKey of 2-(2,4-dichloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is VYEYDYUNTJWMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2/c1-10-4-2-3-7-16(10)9-14(21)20(15(16)22)19-13-6-5-11(17)8-12(13)18/h5-6,8,10,19H,2-4,7,9H2,1H3.
What are the key properties of 2-(2,4-dichloroanilino)-6-methyl-2-azaspiro[4.5]decane-1,3-dione?
2-(2,4-dichloroanilino)-6-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)-6-methyl-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 24795572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).