3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

C15H16Cl2N2O2 — CID 107653741

IUPAC3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCC2(C1)NC(=O)N(c1cc(Cl)cc(Cl)c1)C2=O
InChIInChI=1S/C15H16Cl2N2O2/c1-9-3-2-4-15(8-9)13(20)19(14(21)18-15)12-6-10(16)5-11(17)7-12/h5-7,9H,2-4,8H2,1H3,(H,18,21)
InChIKeyZVNXMESFOPYOHB-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.00
Rot. Bonds1

About 3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione

3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 107653741) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID107653741
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCC1CCCC2(C1)NC(=O)N(c1cc(Cl)cc(Cl)c1)C2=O
InChIInChI=1S/C15H16Cl2N2O2/c1-9-3-2-4-15(8-9)13(20)19(14(21)18-15)12-6-10(16)5-11(17)7-12/h5-7,9H,2-4,8H2,1H3,(H,18,21)
InChIKeyZVNXMESFOPYOHB-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61293928
3-(2,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 107653742
3-(3,5-dichlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 13206499
3-(2-methoxyphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61293927
3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61293566
3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione;methane
CID 143728934
3-(3,5-dichlorophenyl)-5,5-diethylimidazolidine-2,4-dione
CID 21400632
3-(3-chloro-4-methylphenyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 61289546
3-(4-chlorophenyl)-8-ethyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61295440
3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid
CID 82790417
9-(3-chloro-5-fluorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 107370938
(5S,7S)-3-(4-bromo-2,6-dimethylphenyl)-4-hydroxy-7-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 54707675

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione (CID 107653741) is 3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is CC1CCCC2(C1)NC(=O)N(c1cc(Cl)cc(Cl)c1)C2=O.
What is the InChIKey of 3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZVNXMESFOPYOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-9-3-2-4-15(8-9)13(20)19(14(21)18-15)12-6-10(16)5-11(17)7-12/h5-7,9H,2-4,8H2,1H3,(H,18,21).
What are the key properties of 3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 327.21 g/mol, XLogP of 4.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 107653741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).