3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

C15H15ClFN3O2 — CID 2643512

IUPAC3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1c(F)cccc1Cl
InChIInChI=1S/C15H15ClFN3O2/c16-11-5-4-6-12(17)10(11)9-18-20-13(21)15(19-14(20)22)7-2-1-3-8-15/h4-6,9H,1-3,7-8H2,(H,19,22)
InChIKeyCZRBAUUJSKASRI-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.07
Rot. Bonds2

About 3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 2643512) has the molecular formula C15H15ClFN3O2 and a molecular weight of 323.75 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID2643512
Molecular FormulaC15H15ClFN3O2
Molecular Weight323.75 g/mol
Exact Mass323.08
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCCC2)C(=O)N1N=Cc1c(F)cccc1Cl
InChIInChI=1S/C15H15ClFN3O2/c16-11-5-4-6-12(17)10(11)9-18-20-13(21)15(19-14(20)22)7-2-1-3-8-15/h4-6,9H,1-3,7-8H2,(H,19,22)
InChIKeyCZRBAUUJSKASRI-UHFFFAOYSA-N
XLogP3.07
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N'-(2-chloro-6-fluorobenzylidene)-3-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)propanehydrazide
CID 6862661
N-[(2-chloro-6-fluorophenyl)methylideneamino]-3-(3,5-dioxo-2H-1,2,4-triazin-6-yl)propanamide
CID 728347
3-[[4-(Trifluoromethyl)phenyl]methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643524
3-[(2,4-Difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643525
3-[(2-Fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643547
3-[(3-Fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643548
3-[(2,6-Difluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2643568
(5S)-3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 2644110
(5R)-3-[(2-chloro-6-fluorophenyl)methylideneamino]-5-ethyl-5-methylimidazolidine-2,4-dione
CID 2644111
3-[(2-Chloro-6-fluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2696736
3-[(2,4-Difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2696746
3-[(2,6-Difluorophenyl)methylideneamino]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2696779

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 2643512) is 3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCCC2)C(=O)N1N=Cc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CZRBAUUJSKASRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O2/c16-11-5-4-6-12(17)10(11)9-18-20-13(21)15(19-14(20)22)7-2-1-3-8-15/h4-6,9H,1-3,7-8H2,(H,19,22).
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 323.75 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 2643512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).