3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C14H14ClFN2O2 — CID 4280918

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C14H14ClFN2O2/c15-10-4-3-5-11(16)9(10)8-18-12(19)14(17-13(18)20)6-1-2-7-14/h3-5H,1-2,6-8H2,(H,17,20)
InChIKeyBCTGUKRCLFGHCQ-UHFFFAOYSA-N
MW296.73 g/mol
LogP2.84
Rot. Bonds2

About 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 4280918) has the molecular formula C14H14ClFN2O2 and a molecular weight of 296.73 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID4280918
Molecular FormulaC14H14ClFN2O2
Molecular Weight296.73 g/mol
Exact Mass296.07
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1Cc1c(F)cccc1Cl
InChIInChI=1S/C14H14ClFN2O2/c15-10-4-3-5-11(16)9(10)8-18-12(19)14(17-13(18)20)6-1-2-7-14/h3-5H,1-2,6-8H2,(H,17,20)
InChIKeyBCTGUKRCLFGHCQ-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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Related Compounds

3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 115984165
N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 51145756
1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione
CID 82117290
3-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70748418
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43349700
3-[2-(2,6-dichlorophenoxy)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7610121
3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 82098639
3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 107309588
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2475113
3'-[(2,6-dichlorophenyl)methyl]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
CID 3989090

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 4280918) is 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1Cc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is BCTGUKRCLFGHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O2/c15-10-4-3-5-11(16)9(10)8-18-12(19)14(17-13(18)20)6-1-2-7-14/h3-5H,1-2,6-8H2,(H,17,20).
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[(2-chloro-6-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 3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 4280918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).