3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione

C14H15ClFN3O2 — CID 115984165

IUPAC3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCNC2)C(=O)N1Cc1cccc(F)c1Cl
InChIInChI=1S/C14H15ClFN3O2/c15-11-9(3-1-4-10(11)16)7-19-12(20)14(18-13(19)21)5-2-6-17-8-14/h1,3-4,17H,2,5-8H2,(H,18,21)
InChIKeyVAJADYMJYYNLSK-UHFFFAOYSA-N
MW311.74 g/mol
LogP1.65
Rot. Bonds2

About 3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione

3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione (PubChem CID 115984165) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is 3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
PubChem CID115984165
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC Name3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
SMILESO=C1NC2(CCCNC2)C(=O)N1Cc1cccc(F)c1Cl
InChIInChI=1S/C14H15ClFN3O2/c15-11-9(3-1-4-10(11)16)7-19-12(20)14(18-13(19)21)5-2-6-17-8-14/h1,3-4,17H,2,5-8H2,(H,18,21)
InChIKeyVAJADYMJYYNLSK-UHFFFAOYSA-N
XLogP1.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 107309588
(5S)-3-[(4-chlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 124604264
3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4280918
3-[(4-fluorophenyl)methyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 75356044
N-[(2-chloro-3-fluorophenyl)methyl]-3-methylpyrrolidin-3-amine
CID 107423886
2-[(2-chloro-3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 115984159
6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 115984515
3-[(2-chloro-3-fluorophenyl)methyl]-3-fluoropyrrolidine
CID 112655179
1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 112654479
3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43509213
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
(4S)-3'-[(2-fluorophenyl)methyl]spiro[2,3-dihydro-1H-naphthalene-4,5'-imidazolidine]-2',4'-dione
CID 2705970

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione (CID 115984165) is 3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione is O=C1NC2(CCCNC2)C(=O)N1Cc1cccc(F)c1Cl.
What is the InChIKey of 3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is VAJADYMJYYNLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c15-11-9(3-1-4-10(11)16)7-19-12(20)14(18-13(19)21)5-2-6-17-8-14/h1,3-4,17H,2,5-8H2,(H,18,21).
What are the key properties of 3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione?
3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 311.74 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 115984165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).