N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide

C12H15FN2O2 — CID 63282550

IUPACN-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
SMILESO=C(CCN1CC(O)C1)Nc1ccccc1F
InChIInChI=1S/C12H15FN2O2/c13-10-3-1-2-4-11(10)14-12(17)5-6-15-7-9(16)8-15/h1-4,9,16H,5-8H2,(H,14,17)
InChIKeyFRCWSWJFTUPUFO-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.83
Rot. Bonds4

About N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide

N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide (PubChem CID 63282550) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
PubChem CID63282550
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC NameN-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide
SMILESO=C(CCN1CC(O)C1)Nc1ccccc1F
InChIInChI=1S/C12H15FN2O2/c13-10-3-1-2-4-11(10)14-12(17)5-6-15-7-9(16)8-15/h1-4,9,16H,5-8H2,(H,14,17)
InChIKeyFRCWSWJFTUPUFO-UHFFFAOYSA-N
XLogP0.83
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-N-(2-fluorophenyl)propanamide
CID 740148
3-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-fluorophenyl)propanamide;hydrochloride
CID 120663779
N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114681385
3-(3-hydroxyazetidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 63282614
3-(3-hydroxyazetidin-1-yl)-N-phenylpropanamide
CID 63282500
N-(2-fluorophenyl)-3-morpholin-4-ylpropanamide
CID 575001
N-(2-fluorophenyl)-3-thiomorpholin-4-ylpropanamide
CID 91843372
N-(2-fluorophenyl)-3-piperidin-1-ylpropanamide;oxalic acid
CID 171154607
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 31932591
N-(2-fluorophenyl)-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propanamide
CID 63264342
3-(4-amino-3-ethylpiperidin-1-yl)-N-(2-fluorophenyl)propanamide
CID 81452753
methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate
CID 124614909

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide (CID 63282550) is N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide is O=C(CCN1CC(O)C1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide?
The InChIKey is FRCWSWJFTUPUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c13-10-3-1-2-4-11(10)14-12(17)5-6-15-7-9(16)8-15/h1-4,9,16H,5-8H2,(H,14,17).
What are the key properties of N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide?
N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide has a molecular weight of 238.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(3-hydroxyazetidin-1-yl)propanamide is sourced from PubChem (CID 63282550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).