1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone

C11H13FN2O — CID 63753631

IUPAC1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
SMILESNC1CN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C11H13FN2O/c12-9-3-1-8(2-4-9)5-11(15)14-6-10(13)7-14/h1-4,10H,5-7,13H2
InChIKeyXALMLWQLDVVOHF-UHFFFAOYSA-N
MW208.24 g/mol
LogP0.54
Rot. Bonds2

About 1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone

1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone (PubChem CID 63753631) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
PubChem CID63753631
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
SMILESNC1CN(C(=O)Cc2ccc(F)cc2)C1
InChIInChI=1S/C11H13FN2O/c12-9-3-1-8(2-4-9)5-11(15)14-6-10(13)7-14/h1-4,10H,5-7,13H2
InChIKeyXALMLWQLDVVOHF-UHFFFAOYSA-N
XLogP0.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone 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

1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
2-(4-fluorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592908
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121972
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121974
1-(3-aminoazetidin-1-yl)-2-(4-nitrophenyl)ethanone
CID 65245101
2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66195575
2-(4-chlorophenyl)-1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 90592926
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
1-(2,6-diazaspiro[3.3]heptan-2-yl)-2-(4-fluorophenyl)ethanone
CID 170787296
1-[(3R,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-[4-[(4-fluorophenyl)methylamino]phenyl]ethanone
CID 170160383
1-[3-(fluoromethyl)azetidin-1-yl]-2-(4-methylphenyl)ethanone
CID 121189085
2-(4-fluorophenyl)-1-(3-methylpiperidin-1-yl)ethanone
CID 2915380

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone (CID 63753631) is 1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone is NC1CN(C(=O)Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone?
The InChIKey is XALMLWQLDVVOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-9-3-1-8(2-4-9)5-11(15)14-6-10(13)7-14/h1-4,10H,5-7,13H2.
What are the key properties of 1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone?
1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone has a molecular weight of 208.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 63753631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).