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

C15H16ClFN2O2 — CID 107887895

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCCCC2)N1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H16ClFN2O2/c16-11-5-4-10(8-12(11)17)9-19-14(21)18-13(20)15(19)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,18,20,21)
InChIKeyWJSRVLKYOGBIQJ-UHFFFAOYSA-N
MW310.76 g/mol
LogP3.23
Rot. Bonds2

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

1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 107887895) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID107887895
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC(=O)C2(CCCCC2)N1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C15H16ClFN2O2/c16-11-5-4-10(8-12(11)17)9-19-14(21)18-13(20)15(19)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,18,20,21)
InChIKeyWJSRVLKYOGBIQJ-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.23
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 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 107887895) is 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC(=O)C2(CCCCC2)N1Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is WJSRVLKYOGBIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c16-11-5-4-10(8-12(11)17)9-19-14(21)18-13(20)15(19)6-2-1-3-7-15/h4-5,8H,1-3,6-7,9H2,(H,18,20,21).
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 310.76 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 107887895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).