3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

C16H18ClFN2O2 — CID 2372698

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC2(CCCCCC2)C(=O)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C16H18ClFN2O2/c17-12-6-5-7-13(18)11(12)10-20-14(21)16(19-15(20)22)8-3-1-2-4-9-16/h5-7H,1-4,8-10H2,(H,19,22)
InChIKeyYBLYYISEQQRAGS-UHFFFAOYSA-N
MW324.78 g/mol
LogP3.62
Rot. Bonds2

About 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione

3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (PubChem CID 2372698) has the molecular formula C16H18ClFN2O2 and a molecular weight of 324.78 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
PubChem CID2372698
Molecular FormulaC16H18ClFN2O2
Molecular Weight324.78 g/mol
Exact Mass324.10
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
SMILESO=C1NC2(CCCCCC2)C(=O)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C16H18ClFN2O2/c17-12-6-5-7-13(18)11(12)10-20-14(21)16(19-15(20)22)8-3-1-2-4-9-16/h5-7H,1-4,8-10H2,(H,19,22)
InChIKeyYBLYYISEQQRAGS-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.78
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione (CID 2372698) is 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is O=C1NC2(CCCCCC2)C(=O)N1Cc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
The InChIKey is YBLYYISEQQRAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O2/c17-12-6-5-7-13(18)11(12)10-20-14(21)16(19-15(20)22)8-3-1-2-4-9-16/h5-7H,1-4,8-10H2,(H,19,22).
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione?
3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione has a molecular weight of 324.78 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione is sourced from PubChem (CID 2372698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).