3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C14H14ClFN2O2 — CID 58035722

IUPAC3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1c1ccc(Cl)cc1F
InChIInChI=1S/C14H14ClFN2O2/c15-9-4-5-11(10(16)8-9)18-12(19)14(17-13(18)20)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,17,20)
InChIKeyMXPRJWORHIAYKI-UHFFFAOYSA-N
MW296.73 g/mol
LogP3.24
Rot. Bonds1

About 3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione

3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 58035722) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID58035722
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1c1ccc(Cl)cc1F
InChIInChI=1S/C14H14ClFN2O2/c15-9-4-5-11(10(16)8-9)18-12(19)14(17-13(18)20)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,17,20)
InChIKeyMXPRJWORHIAYKI-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 58035722) is 3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1c1ccc(Cl)cc1F.
What is the InChIKey of 3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is MXPRJWORHIAYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c15-9-4-5-11(10(16)8-9)18-12(19)14(17-13(18)20)6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,17,20).
What are the key properties of 3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 296.73 g/mol, XLogP of 3.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-fluorophenyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 58035722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).