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

C17H22ClFN2O — CID 134479372

IUPAC8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one
SMILESCC1CC2(CCC(N)CC2)C(=O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C17H22ClFN2O/c1-11-9-17(6-4-14(20)5-7-17)16(22)21(11)10-12-2-3-13(19)8-15(12)18/h2-3,8,11,14H,4-7,9-10,20H2,1H3
InChIKeyKRJJTMNGGJEAEI-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.49
Rot. Bonds2

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

8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one (PubChem CID 134479372) has the molecular formula C17H22ClFN2O and a molecular weight of 324.83 g/mol. Its IUPAC name is 8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one
PubChem CID134479372
Molecular FormulaC17H22ClFN2O
Molecular Weight324.83 g/mol
Exact Mass324.14
IUPAC Name8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one
SMILESCC1CC2(CCC(N)CC2)C(=O)N1Cc1ccc(F)cc1Cl
InChIInChI=1S/C17H22ClFN2O/c1-11-9-17(6-4-14(20)5-7-17)16(22)21(11)10-12-2-3-13(19)8-15(12)18/h2-3,8,11,14H,4-7,9-10,20H2,1H3
InChIKeyKRJJTMNGGJEAEI-UHFFFAOYSA-N
XLogP3.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one (CID 134479372) is 8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one is CC1CC2(CCC(N)CC2)C(=O)N1Cc1ccc(F)cc1Cl.
What is the InChIKey of 8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one?
The InChIKey is KRJJTMNGGJEAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O/c1-11-9-17(6-4-14(20)5-7-17)16(22)21(11)10-12-2-3-13(19)8-15(12)18/h2-3,8,11,14H,4-7,9-10,20H2,1H3.
What are the key properties of 8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one?
8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one has a molecular weight of 324.83 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 134479372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).