(3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone

C19H26ClFN2O — CID 164641784

IUPAC(3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCN(C)C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)CC12CCCCC2
InChIInChI=1S/C19H26ClFN2O/c1-22(2)11-15-12-23(13-19(15)8-4-3-5-9-19)18(24)14-6-7-17(21)16(20)10-14/h6-7,10,15H,3-5,8-9,11-13H2,1-2H3/t15-/m0/s1
InChIKeyLAZIZDQKDDVZOZ-HNNXBMFYSA-N
MW352.88 g/mol
LogP4.06
Rot. Bonds3

About (3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone

(3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 164641784) has the molecular formula C19H26ClFN2O and a molecular weight of 352.88 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID164641784
Molecular FormulaC19H26ClFN2O
Molecular Weight352.88 g/mol
Exact Mass352.17
IUPAC Name(3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCN(C)C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)CC12CCCCC2
InChIInChI=1S/C19H26ClFN2O/c1-22(2)11-15-12-23(13-19(15)8-4-3-5-9-19)18(24)14-6-7-17(21)16(20)10-14/h6-7,10,15H,3-5,8-9,11-13H2,1-2H3/t15-/m0/s1
InChIKeyLAZIZDQKDDVZOZ-HNNXBMFYSA-N
XLogP4.06
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.88
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone 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 (3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone (CID 164641784) is (3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone is CN(C)C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2)CC12CCCCC2.
What is the InChIKey of (3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is LAZIZDQKDDVZOZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H26ClFN2O/c1-22(2)11-15-12-23(13-19(15)8-4-3-5-9-19)18(24)14-6-7-17(21)16(20)10-14/h6-7,10,15H,3-5,8-9,11-13H2,1-2H3/t15-/m0/s1.
What are the key properties of (3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone?
(3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 352.88 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-[(4S)-4-[(dimethylamino)methyl]-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 164641784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).