2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride

C15H18ClFN2O2 — CID 118741546

IUPAC2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride
SMILESCl.O=C1CC2(CCCNC2)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C15H17FN2O2.ClH/c16-12-4-1-3-11(7-12)9-18-13(19)8-15(14(18)20)5-2-6-17-10-15;/h1,3-4,7,17H,2,5-6,8-10H2;1H
InChIKeyLONSAPSGYIFYAZ-UHFFFAOYSA-N
MW312.77 g/mol
LogP1.88
Rot. Bonds2

About 2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride

2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride (PubChem CID 118741546) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride
PubChem CID118741546
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride
SMILESCl.O=C1CC2(CCCNC2)C(=O)N1Cc1cccc(F)c1
InChIInChI=1S/C15H17FN2O2.ClH/c16-12-4-1-3-11(7-12)9-18-13(19)8-15(14(18)20)5-2-6-17-10-15;/h1,3-4,7,17H,2,5-6,8-10H2;1H
InChIKeyLONSAPSGYIFYAZ-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride (CID 118741546) is 2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride is Cl.O=C1CC2(CCCNC2)C(=O)N1Cc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride?
The InChIKey is LONSAPSGYIFYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2.ClH/c16-12-4-1-3-11(7-12)9-18-13(19)8-15(14(18)20)5-2-6-17-10-15;/h1,3-4,7,17H,2,5-6,8-10H2;1H.
What are the key properties of 2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride?
2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride has a molecular weight of 312.77 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-1,3-dione;hydrochloride is sourced from PubChem (CID 118741546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).