1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C14H14ClFN2O2 — CID 107887894

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCCC2)N1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H14ClFN2O2/c15-10-4-3-9(7-11(10)16)8-18-13(20)17-12(19)14(18)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,19,20)
InChIKeyZEXLJIWNXKVTSW-UHFFFAOYSA-N
MW296.73 g/mol
LogP2.84
Rot. Bonds2

About 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 107887894) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID107887894
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC(=O)C2(CCCC2)N1Cc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H14ClFN2O2/c15-10-4-3-9(7-11(10)16)8-18-13(20)17-12(19)14(18)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,19,20)
InChIKeyZEXLJIWNXKVTSW-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.73
LogP ≤ 52.84
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[4.4]nonane-2,4-dione?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 107887894) is 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC(=O)C2(CCCC2)N1Cc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is ZEXLJIWNXKVTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c15-10-4-3-9(7-11(10)16)8-18-13(20)17-12(19)14(18)5-1-2-6-14/h3-4,7H,1-2,5-6,8H2,(H,17,19,20).
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
1-[(4-chloro-3-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 296.73 g/mol, XLogP of 2.84, 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[4.4]nonane-2,4-dione is sourced from PubChem (CID 107887894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).