2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide

C11H11F3N2O — CID 64617943

IUPAC2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CC1CNC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3N2O/c12-7-1-2-8(11(14)10(7)13)16-9(17)3-6-4-15-5-6/h1-2,6,15H,3-5H2,(H,16,17)
InChIKeyLFSPRAGPCIKRAS-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.65
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide

2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 64617943) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID64617943
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(CC1CNC1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C11H11F3N2O/c12-7-1-2-8(11(14)10(7)13)16-9(17)3-6-4-15-5-6/h1-2,6,15H,3-5H2,(H,16,17)
InChIKeyLFSPRAGPCIKRAS-UHFFFAOYSA-N
XLogP1.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-yl)-N-(5-bromo-2,4-difluorophenyl)acetamide
CID 102853698
2-(azetidin-3-yl)-N-(2-cyano-4-fluorophenyl)acetamide
CID 82015908
2-(azetidin-3-yl)-N-(4-fluoro-2-nitrophenyl)acetamide
CID 64615986
2-(azetidin-3-yl)-N-(2-methylphenyl)acetamide
CID 64615932
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 60647160
N-(2-fluoro-3-methylphenyl)-2-pyrrolidin-3-ylacetamide
CID 114254707
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2,3,4-trifluorophenyl)acetamide
CID 7769996
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate
CID 2617337
2-(azetidin-3-yl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64616779
2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 9461038
2-(azetidin-3-yl)-N-(2-tert-butylphenyl)acetamide
CID 64617575
N-propyl-N'-(2,3,4-trifluorophenyl)propanediamide
CID 108940771

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide (CID 64617943) is 2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide is O=C(CC1CNC1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is LFSPRAGPCIKRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-7-1-2-8(11(14)10(7)13)16-9(17)3-6-4-15-5-6/h1-2,6,15H,3-5H2,(H,16,17).
What are the key properties of 2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 244.22 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 64617943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).