4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

C16H19FN2O2 — CID 64959075

IUPAC4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCc1ccc(F)cc1N1CC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H19FN2O2/c1-11-5-6-12(17)9-13(11)19-10-14(20)18-16(15(19)21)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20)
InChIKeyCTQOLFFHGILARU-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.30
Rot. Bonds1

About 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione

4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (PubChem CID 64959075) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.

Molecular Properties

Compound Name4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
PubChem CID64959075
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione
SMILESCc1ccc(F)cc1N1CC(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H19FN2O2/c1-11-5-6-12(17)9-13(11)19-10-14(20)18-16(15(19)21)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20)
InChIKeyCTQOLFFHGILARU-UHFFFAOYSA-N
XLogP2.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The IUPAC name of 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione (CID 64959075) is 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione.
What is the SMILES notation for 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The canonical SMILES for 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is Cc1ccc(F)cc1N1CC(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
The InChIKey is CTQOLFFHGILARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-11-5-6-12(17)9-13(11)19-10-14(20)18-16(15(19)21)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20).
What are the key properties of 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione?
4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione has a molecular weight of 290.34 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylphenyl)-1,4-diazaspiro[5.5]undecane-2,5-dione is sourced from PubChem (CID 64959075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).