2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide

C13H11F5N2O2 — CID 175394714

IUPAC2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide
SMILESO=C1CN(c2cc(F)c(C(=O)NC(CF)C(F)F)cc2F)C1
InChIInChI=1S/C13H11F5N2O2/c14-3-10(12(17)18)19-13(22)7-1-9(16)11(2-8(7)15)20-4-6(21)5-20/h1-2,10,12H,3-5H2,(H,19,22)
InChIKeyHELWHIYPYGEFEO-UHFFFAOYSA-N
MW322.23 g/mol
LogP1.69
Rot. Bonds5

About 2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide

2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide (PubChem CID 175394714) has the molecular formula C13H11F5N2O2 and a molecular weight of 322.23 g/mol. Its IUPAC name is 2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide.

Molecular Properties

Compound Name2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide
PubChem CID175394714
Molecular FormulaC13H11F5N2O2
Molecular Weight322.23 g/mol
Exact Mass322.07
IUPAC Name2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide
SMILESO=C1CN(c2cc(F)c(C(=O)NC(CF)C(F)F)cc2F)C1
InChIInChI=1S/C13H11F5N2O2/c14-3-10(12(17)18)19-13(22)7-1-9(16)11(2-8(7)15)20-4-6(21)5-20/h1-2,10,12H,3-5H2,(H,19,22)
InChIKeyHELWHIYPYGEFEO-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-difluoro-4-(3-hydroxyazetidin-1-yl)-N-propan-2-ylbenzamide
CID 163765559
5-fluoro-2-methyl-6-(3-oxoazetidin-1-yl)pyridine-3-carboxylic acid
CID 172793833
4-bromo-2-fluoro-N-(2-methylpentan-3-yl)benzamide
CID 54949695
4-(4-acetyl-2,5-difluorophenyl)piperazine-1-carboxylic acid
CID 146349741
4-chloro-2,5-difluoro-N-(1,1,1-trifluoropropan-2-yl)benzamide
CID 175078234
methyl 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2,5-difluorobenzoate
CID 98041526
5-chloro-2-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249540
2-fluoro-N-[(2S,3S)-3-[(2-fluorobenzoyl)amino]-1,4-dihydroxybutan-2-yl]benzamide
CID 10570753
2,4-difluoro-5-hydroxy-N-propan-2-ylbenzamide
CID 139030542
4-chloro-N-(1-chlorobutan-2-yl)-2,5-difluorobenzamide
CID 82771853
2,4-dichloro-5-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252938
2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)-5-sulfanylbenzamide
CID 107032027

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide?
The IUPAC name of 2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide (CID 175394714) is 2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide.
What is the SMILES notation for 2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide?
The canonical SMILES for 2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide is O=C1CN(c2cc(F)c(C(=O)NC(CF)C(F)F)cc2F)C1.
What is the InChIKey of 2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide?
The InChIKey is HELWHIYPYGEFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F5N2O2/c14-3-10(12(17)18)19-13(22)7-1-9(16)11(2-8(7)15)20-4-6(21)5-20/h1-2,10,12H,3-5H2,(H,19,22).
What are the key properties of 2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide?
2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide has a molecular weight of 322.23 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(3-oxoazetidin-1-yl)-N-(1,1,3-trifluoropropan-2-yl)benzamide is sourced from PubChem (CID 175394714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).