2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide

C13H18FN3O — CID 65249736

IUPAC2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)CN1CC(N)C1)c1ccc(F)cc1
InChIInChI=1S/C13H18FN3O/c1-2-17(12-5-3-10(14)4-6-12)13(18)9-16-7-11(15)8-16/h3-6,11H,2,7-9,15H2,1H3
InChIKeyQTZILPUZGPMEES-UHFFFAOYSA-N
MW251.30 g/mol
LogP0.82
Rot. Bonds4

About 2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide

2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide (PubChem CID 65249736) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
PubChem CID65249736
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
SMILESCCN(C(=O)CN1CC(N)C1)c1ccc(F)cc1
InChIInChI=1S/C13H18FN3O/c1-2-17(12-5-3-10(14)4-6-12)13(18)9-16-7-11(15)8-16/h3-6,11H,2,7-9,15H2,1H3
InChIKeyQTZILPUZGPMEES-UHFFFAOYSA-N
XLogP0.82
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydroxypyrrolidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 106672010
2-[(3S)-3-aminopyrrolidin-1-yl]-N-ethyl-N-phenylacetamide;hydrochloride
CID 119933615
N-ethyl-N-(4-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62732355
N-ethyl-N-(4-fluorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942428
N-(2,6-dimethylphenyl)-2-[4-[2-(N-ethyl-4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8744949
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 79611017
N-ethyl-N-(4-fluorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119690587
2-(3-aminoazetidin-1-yl)-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 79005108
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-ethyl-N-(4-fluorophenyl)acetamide
CID 7488869
2-[1-[ethyl-(4-fluorophenyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618666
3-(N-[2-(4-ethylpiperazin-1-yl)acetyl]-4-fluoroanilino)propanamide
CID 39980549
N-ethyl-N-(4-fluorophenyl)-3,3-dimethylbutanamide
CID 78806080

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide (CID 65249736) is 2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide is CCN(C(=O)CN1CC(N)C1)c1ccc(F)cc1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
The InChIKey is QTZILPUZGPMEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-2-17(12-5-3-10(14)4-6-12)13(18)9-16-7-11(15)8-16/h3-6,11H,2,7-9,15H2,1H3.
What are the key properties of 2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide?
2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide has a molecular weight of 251.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-N-ethyl-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 65249736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).