8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C14H15Cl2N3O2 — CID 82098563

IUPAC8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)N1
InChIInChI=1S/C14H15Cl2N3O2/c15-10-2-1-9(7-11(10)16)8-19-5-3-14(4-6-19)12(20)17-13(21)18-14/h1-2,7H,3-6,8H2,(H2,17,18,20,21)
InChIKeyCEXQBPIXKYZJPB-UHFFFAOYSA-N
MW328.20 g/mol
LogP2.17
Rot. Bonds2

About 8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 82098563) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID82098563
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)N1
InChIInChI=1S/C14H15Cl2N3O2/c15-10-2-1-9(7-11(10)16)8-19-5-3-14(4-6-19)12(20)17-13(21)18-14/h1-2,7H,3-6,8H2,(H2,17,18,20,21)
InChIKeyCEXQBPIXKYZJPB-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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Frequently Asked Questions

What is the IUPAC name of 8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 82098563) is 8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCN(Cc3ccc(Cl)c(Cl)c3)CC2)N1.
What is the InChIKey of 8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is CEXQBPIXKYZJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c15-10-2-1-9(7-11(10)16)8-19-5-3-14(4-6-19)12(20)17-13(21)18-14/h1-2,7H,3-6,8H2,(H2,17,18,20,21).
What are the key properties of 8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(3,4-dichlorophenyl)methyl]-1,3,8-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 8-[(3,4-dichlorophenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 82098563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).