2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one

C17H21ClFNO2 — CID 134479416

IUPAC2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one
SMILESCC1CC2(CCC(O)CC2)C(=O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C17H21ClFNO2/c1-11-9-17(6-4-14(21)5-7-17)16(22)20(11)10-12-2-3-13(19)8-15(12)18/h2-3,8,11,14,21H,4-7,9-10H2,1H3
InChIKeyZCKLUZPDVTUYOF-UHFFFAOYSA-N
MW325.81 g/mol
LogP3.52
Rot. Bonds2

About 2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one

2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one (PubChem CID 134479416) has the molecular formula C17H21ClFNO2 and a molecular weight of 325.81 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one
PubChem CID134479416
Molecular FormulaC17H21ClFNO2
Molecular Weight325.81 g/mol
Exact Mass325.12
IUPAC Name2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one
SMILESCC1CC2(CCC(O)CC2)C(=O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C17H21ClFNO2/c1-11-9-17(6-4-14(21)5-7-17)16(22)20(11)10-12-2-3-13(19)8-15(12)18/h2-3,8,11,14,21H,4-7,9-10H2,1H3
InChIKeyZCKLUZPDVTUYOF-UHFFFAOYSA-N
XLogP3.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.81
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one
CID 134479372
1-[(2-chloro-4-fluorophenyl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
CID 162638158
1-[(2-chloro-4-fluorophenyl)methyl]-2-cyclooctyl-4,4-dimethyldiazetidin-3-one
CID 59361398
(3R)-4-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione
CID 165422583
1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine
CID 22197972
1-(2-chloro-4-fluorophenyl)-N-[(1-cyclopropylcyclopropyl)methyl]methanamine
CID 113321743
N-[(2-chloro-4-fluorophenyl)methyl]-1-(chloromethyl)-3-methylcyclohexan-1-amine
CID 65030414
[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 54989344
(3S)-4-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-1-propylpiperazine-2,5-dione;formic acid
CID 166599363
(3R,4R)-1-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72861837
1-[(2-chloro-4-fluorophenyl)methyl]-3-ethoxy-3-methylpyrrolidin-2-one
CID 174615665
2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
CID 62359472

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one (CID 134479416) is 2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one is CC1CC2(CCC(O)CC2)C(=O)N1Cc1ccc(F)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one?
The InChIKey is ZCKLUZPDVTUYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFNO2/c1-11-9-17(6-4-14(21)5-7-17)16(22)20(11)10-12-2-3-13(19)8-15(12)18/h2-3,8,11,14,21H,4-7,9-10H2,1H3.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one?
2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one has a molecular weight of 325.81 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methyl]-8-hydroxy-3-methyl-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 134479416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).