3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione

C14H15Cl2N3O2 — CID 107309588

IUPAC3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCNC2)C(=O)N1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3O2/c15-10-4-1-3-9(11(10)16)7-19-12(20)14(18-13(19)21)5-2-6-17-8-14/h1,3-4,17H,2,5-8H2,(H,18,21)
InChIKeyWJRONXRYFCFXBV-UHFFFAOYSA-N
MW328.20 g/mol
LogP2.17
Rot. Bonds2

About 3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione

3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione (PubChem CID 107309588) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
PubChem CID107309588
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCNC2)C(=O)N1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H15Cl2N3O2/c15-10-4-1-3-9(11(10)16)7-19-12(20)14(18-13(19)21)5-2-6-17-8-14/h1,3-4,17H,2,5-8H2,(H,18,21)
InChIKeyWJRONXRYFCFXBV-UHFFFAOYSA-N
XLogP2.17
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 115984165
(5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 124604264
(5R)-2-[(2-chlorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione
CID 97449189
3-[(2-chlorophenyl)methyl]-8-thia-1,3-diazaspiro[4.5]decane-2,4-dione
CID 56824692
3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4280918
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 18096353
3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 75356044
(5S)-3-[(2-chlorophenyl)methyl]-7-thia-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 30479318
3'-[(2,3-dichlorophenyl)methyl]-5-methylspiro[1H-indole-3,5'-imidazolidine]-2,2',4'-trione
CID 69264709
3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509213
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
N-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423899

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione (CID 107309588) is 3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCNC2)C(=O)N1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is WJRONXRYFCFXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c15-10-4-1-3-9(11(10)16)7-19-12(20)14(18-13(19)21)5-2-6-17-8-14/h1,3-4,17H,2,5-8H2,(H,18,21).
What are the key properties of 3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 328.20 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 107309588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).