6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

C15H16ClFN2O2 — CID 115984515

IUPAC6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CNC(=O)C2(CCCC2)N1Cc1cccc(F)c1Cl
InChIInChI=1S/C15H16ClFN2O2/c16-13-10(4-3-5-11(13)17)9-19-12(20)8-18-14(21)15(19)6-1-2-7-15/h3-5H,1-2,6-9H2,(H,18,21)
InChIKeyRBWYQICZEWUKCJ-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.25
Rot. Bonds2

About 6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione

6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (PubChem CID 115984515) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is 6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.

Molecular Properties

Compound Name6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
PubChem CID115984515
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
SMILESO=C1CNC(=O)C2(CCCC2)N1Cc1cccc(F)c1Cl
InChIInChI=1S/C15H16ClFN2O2/c16-13-10(4-3-5-11(13)17)9-19-12(20)8-18-14(21)15(19)6-1-2-7-15/h3-5H,1-2,6-9H2,(H,18,21)
InChIKeyRBWYQICZEWUKCJ-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-3-fluorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 112654479
1-[(2,3-difluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64880676
1-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64880512
3-[(2-chloro-3-fluorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 115984165
6-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 107310580
2-[(2-chloro-3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 115984159
1-[(4-chloro-2-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 114861256
1-amino-3-[(2-chloro-3-fluorophenyl)methyl]-1,3-diazinan-2-one
CID 113431480
1-[(2-chloro-3-fluorophenyl)methyl]-3-ethylpiperazine-2,6-dione
CID 112654102
6-(2-methylsulfonylethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880891
6-[2-(trifluoromethylsulfanyl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 116627705
2-(2-chloro-3-fluorophenyl)-1-[1-(dimethylamino)cyclohexyl]ethanone
CID 115983535

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The IUPAC name of 6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione (CID 115984515) is 6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione.
What is the SMILES notation for 6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The canonical SMILES for 6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is O=C1CNC(=O)C2(CCCC2)N1Cc1cccc(F)c1Cl.
What is the InChIKey of 6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
The InChIKey is RBWYQICZEWUKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c16-13-10(4-3-5-11(13)17)9-19-12(20)8-18-14(21)15(19)6-1-2-7-15/h3-5H,1-2,6-9H2,(H,18,21).
What are the key properties of 6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione?
6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione has a molecular weight of 310.76 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-3-fluorophenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione is sourced from PubChem (CID 115984515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).