3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one

C14H17ClFN3O — CID 82098639

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCNCC2)CN1Cc1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFN3O/c15-11-2-1-3-12(16)10(11)8-19-9-14(18-13(19)20)4-6-17-7-5-14/h1-3,17H,4-9H2,(H,18,20)
InChIKeyFNMBDESQGXKOKN-UHFFFAOYSA-N
MW297.76 g/mol
LogP2.13
Rot. Bonds2

About 3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one

3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 82098639) has the molecular formula C14H17ClFN3O and a molecular weight of 297.76 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID82098639
Molecular FormulaC14H17ClFN3O
Molecular Weight297.76 g/mol
Exact Mass297.10
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
SMILESO=C1NC2(CCNCC2)CN1Cc1c(F)cccc1Cl
InChIInChI=1S/C14H17ClFN3O/c15-11-2-1-3-12(16)10(11)8-19-9-14(18-13(19)20)4-6-17-7-5-14/h1-3,17H,4-9H2,(H,18,20)
InChIKeyFNMBDESQGXKOKN-UHFFFAOYSA-N
XLogP2.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-ol
CID 62786575
3-[(2-chloro-6-fluorophenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4280918
3-benzyl-1,3,7-triazaspiro[4.4]nonan-2-one
CID 83894911
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087
2-[(2-chloro-3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 115984159
4-[(2-chloro-6-fluorophenyl)methyl]-4-fluoroazepane
CID 103983949
1-[(2-chloro-6-fluorophenyl)methyl]pyrrole-2,5-dione
CID 82117290
10-[(2-chloro-6-fluorophenyl)methyl]-9-methyl-6,10-diazaspiro[4.6]undecane
CID 64871995
1-[(2-chloro-6-fluorophenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64880744
3-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70748418
1-[(2-chloro-6-fluorophenyl)methyl]-2,2-diethylpiperazine
CID 64845606
1-[(2-chloro-6-fluorophenyl)methyl]-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64881774

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one (CID 82098639) is 3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one is O=C1NC2(CCNCC2)CN1Cc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is FNMBDESQGXKOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O/c15-11-2-1-3-12(16)10(11)8-19-9-14(18-13(19)20)4-6-17-7-5-14/h1-3,17H,4-9H2,(H,18,20).
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one?
3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 297.76 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 82098639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).