2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one

C22H22Cl2FNO — CID 24863747

IUPAC2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2c(Cl)cc(-c3ccc(F)cc3)cc2Cl)CCC12CCCCC2
InChIInChI=1S/C22H22Cl2FNO/c23-19-12-16(15-4-6-17(25)7-5-15)13-20(24)18(19)14-26-11-10-22(21(26)27)8-2-1-3-9-22/h4-7,12-13H,1-3,8-11,14H2
InChIKeySWDNXBOKVMFSPQ-UHFFFAOYSA-N
MW406.33 g/mol
LogP6.48
Rot. Bonds3

About 2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one

2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one (PubChem CID 24863747) has the molecular formula C22H22Cl2FNO and a molecular weight of 406.33 g/mol. Its IUPAC name is 2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one
PubChem CID24863747
Molecular FormulaC22H22Cl2FNO
Molecular Weight406.33 g/mol
Exact Mass405.11
IUPAC Name2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2c(Cl)cc(-c3ccc(F)cc3)cc2Cl)CCC12CCCCC2
InChIInChI=1S/C22H22Cl2FNO/c23-19-12-16(15-4-6-17(25)7-5-15)13-20(24)18(19)14-26-11-10-22(21(26)27)8-2-1-3-9-22/h4-7,12-13H,1-3,8-11,14H2
InChIKeySWDNXBOKVMFSPQ-UHFFFAOYSA-N
XLogP6.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.33
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one (CID 24863747) is 2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one is O=C1N(Cc2c(Cl)cc(-c3ccc(F)cc3)cc2Cl)CCC12CCCCC2.
What is the InChIKey of 2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one?
The InChIKey is SWDNXBOKVMFSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2FNO/c23-19-12-16(15-4-6-17(25)7-5-15)13-20(24)18(19)14-26-11-10-22(21(26)27)8-2-1-3-9-22/h4-7,12-13H,1-3,8-11,14H2.
What are the key properties of 2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one?
2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one has a molecular weight of 406.33 g/mol, XLogP of 6.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 24863747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).