2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone

C18H20FN3O — CID 72856592

IUPAC2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone
SMILESCN(C)C(C(=O)N1CC(c2ccccn2)C1)c1cccc(F)c1
InChIInChI=1S/C18H20FN3O/c1-21(2)17(13-6-5-7-15(19)10-13)18(23)22-11-14(12-22)16-8-3-4-9-20-16/h3-10,14,17H,11-12H2,1-2H3
InChIKeyGLCGBMVUYQIXKI-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.45
Rot. Bonds4

About 2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone

2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone (PubChem CID 72856592) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone
PubChem CID72856592
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone
SMILESCN(C)C(C(=O)N1CC(c2ccccn2)C1)c1cccc(F)c1
InChIInChI=1S/C18H20FN3O/c1-21(2)17(13-6-5-7-15(19)10-13)18(23)22-11-14(12-22)16-8-3-4-9-20-16/h3-10,14,17H,11-12H2,1-2H3
InChIKeyGLCGBMVUYQIXKI-UHFFFAOYSA-N
XLogP2.45
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone 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 2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone (CID 72856592) is 2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone is CN(C)C(C(=O)N1CC(c2ccccn2)C1)c1cccc(F)c1.
What is the InChIKey of 2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone?
The InChIKey is GLCGBMVUYQIXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c1-21(2)17(13-6-5-7-15(19)10-13)18(23)22-11-14(12-22)16-8-3-4-9-20-16/h3-10,14,17H,11-12H2,1-2H3.
What are the key properties of 2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone?
2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone has a molecular weight of 313.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-fluorophenyl)-1-(3-pyridin-2-ylazetidin-1-yl)ethanone is sourced from PubChem (CID 72856592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).