3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione

C14H15ClN2O2 — CID 14639021

IUPAC3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCN1C(=O)N(c2ccc(Cl)cc2)C(=O)C12CCCC2
InChIInChI=1S/C14H15ClN2O2/c1-16-13(19)17(11-6-4-10(15)5-7-11)12(18)14(16)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3
InChIKeyHVECOXMCIZKLML-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.05
Rot. Bonds1

About 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione

3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 14639021) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID14639021
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESCN1C(=O)N(c2ccc(Cl)cc2)C(=O)C12CCCC2
InChIInChI=1S/C14H15ClN2O2/c1-16-13(19)17(11-6-4-10(15)5-7-11)12(18)14(16)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3
InChIKeyHVECOXMCIZKLML-UHFFFAOYSA-N
XLogP3.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)benzonitrile
CID 167840346
3-(4-chlorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione;methane
CID 143728934
3-[(3-chlorophenyl)methyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 36658226
N-(3,5-dichlorophenyl)-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7850278
1-methyl-3-phenyl-1,3-diazaspiro[5.5]undecane-2,4-dione
CID 65243274
1-tert-butyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 60837921
3-(4-chlorophenyl)-5,5-diethyl-1-(4-methylphenyl)imidazolidine-2,4-dione
CID 145417028
3-(4-fluorophenyl)-1,5,5-trimethylimidazolidine-2,4-dione
CID 62817631
2-(4-chlorophenyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1,3-dione
CID 13194948
ethyl 1-(4-chlorophenyl)-4-oxo-1,3-diazaspiro[4.5]decane-3-carboxylate
CID 123841281
1-methyl-3-[2-(pyridin-2-ylmethyl)pyrazol-3-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 154781659
3,3-dichloro-1-(4-chlorophenyl)piperidin-2-one
CID 134094956

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 14639021) is 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione is CN1C(=O)N(c2ccc(Cl)cc2)C(=O)C12CCCC2.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is HVECOXMCIZKLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-16-13(19)17(11-6-4-10(15)5-7-11)12(18)14(16)8-2-3-9-14/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 278.74 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 14639021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).