2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one

C16H19ClFNO2 — CID 122672633

IUPAC2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
SMILESCc1cc(N2CCC3(CCC(O)CC3)C2=O)c(Cl)cc1F
InChIInChI=1S/C16H19ClFNO2/c1-10-8-14(12(17)9-13(10)18)19-7-6-16(15(19)21)4-2-11(20)3-5-16/h8-9,11,20H,2-7H2,1H3
InChIKeyQNHXAUUSZYVKAP-UHFFFAOYSA-N
MW311.78 g/mol
LogP3.45
Rot. Bonds1

About 2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one

2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one (PubChem CID 122672633) has the molecular formula C16H19ClFNO2 and a molecular weight of 311.78 g/mol. Its IUPAC name is 2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
PubChem CID122672633
Molecular FormulaC16H19ClFNO2
Molecular Weight311.78 g/mol
Exact Mass311.11
IUPAC Name2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one
SMILESCc1cc(N2CCC3(CCC(O)CC3)C2=O)c(Cl)cc1F
InChIInChI=1S/C16H19ClFNO2/c1-10-8-14(12(17)9-13(10)18)19-7-6-16(15(19)21)4-2-11(20)3-5-16/h8-9,11,20H,2-7H2,1H3
InChIKeyQNHXAUUSZYVKAP-UHFFFAOYSA-N
XLogP3.45
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.78
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one (CID 122672633) is 2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one is Cc1cc(N2CCC3(CCC(O)CC3)C2=O)c(Cl)cc1F.
What is the InChIKey of 2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
The InChIKey is QNHXAUUSZYVKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO2/c1-10-8-14(12(17)9-13(10)18)19-7-6-16(15(19)21)4-2-11(20)3-5-16/h8-9,11,20H,2-7H2,1H3.
What are the key properties of 2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one?
2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one has a molecular weight of 311.78 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluoro-5-methylphenyl)-8-hydroxy-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 122672633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).