2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide

C13H15F3N2O2 — CID 116674418

IUPAC2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1OC(F)(F)F)C1CNC1
InChIInChI=1S/C13H15F3N2O2/c1-8(9-6-17-7-9)12(19)18-10-4-2-3-5-11(10)20-13(14,15)16/h2-5,8-9,17H,6-7H2,1H3,(H,18,19)
InChIKeyLVZIVVHIWVBDPZ-UHFFFAOYSA-N
MW288.27 g/mol
LogP2.38
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide

2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide (PubChem CID 116674418) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
PubChem CID116674418
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC Name2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide
SMILESCC(C(=O)Nc1ccccc1OC(F)(F)F)C1CNC1
InChIInChI=1S/C13H15F3N2O2/c1-8(9-6-17-7-9)12(19)18-10-4-2-3-5-11(10)20-13(14,15)16/h2-5,8-9,17H,6-7H2,1H3,(H,18,19)
InChIKeyLVZIVVHIWVBDPZ-UHFFFAOYSA-N
XLogP2.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 116674736
2-(azetidin-3-yl)-N-(2-propoxyphenyl)propanamide
CID 116675260
2-(azetidin-3-yl)-N-(2-iodophenyl)propanamide
CID 116674715
2-(azetidin-3-yl)-N-naphthalen-1-ylpropanamide
CID 116674289
N-[2-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 18072532
(2S)-2-amino-N-[2-(trifluoromethoxy)phenyl]butanamide;hydrochloride
CID 119275178
methyl 2-[2-(azetidin-3-yl)propanoylamino]-4-fluorobenzoate
CID 116675861
3-(ethylamino)-N-[2-(trifluoromethoxy)phenyl]butanamide
CID 62837697
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 18072094
5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 78981617
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 111431252
2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide
CID 116675538

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide (CID 116674418) is 2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide is CC(C(=O)Nc1ccccc1OC(F)(F)F)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is LVZIVVHIWVBDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-8(9-6-17-7-9)12(19)18-10-4-2-3-5-11(10)20-13(14,15)16/h2-5,8-9,17H,6-7H2,1H3,(H,18,19).
What are the key properties of 2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide?
2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 288.27 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[2-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 116674418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).