2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide

C17H24F2N2O2 — CID 67774372

IUPAC2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide
SMILESCCCC[C@@H](CN1CC(O)C1)N(C)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C17H24F2N2O2/c1-3-4-5-13(9-21-10-14(22)11-21)20(2)17(23)15-8-12(18)6-7-16(15)19/h6-8,13-14,22H,3-5,9-11H2,1-2H3/t13-/m0/s1
InChIKeyUPCFTVQCTOJZHR-ZDUSSCGKSA-N
MW326.39 g/mol
LogP2.27
Rot. Bonds7

About 2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide

2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide (PubChem CID 67774372) has the molecular formula C17H24F2N2O2 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide
PubChem CID67774372
Molecular FormulaC17H24F2N2O2
Molecular Weight326.39 g/mol
Exact Mass326.18
IUPAC Name2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide
SMILESCCCC[C@@H](CN1CC(O)C1)N(C)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C17H24F2N2O2/c1-3-4-5-13(9-21-10-14(22)11-21)20(2)17(23)15-8-12(18)6-7-16(15)19/h6-8,13-14,22H,3-5,9-11H2,1-2H3/t13-/m0/s1
InChIKeyUPCFTVQCTOJZHR-ZDUSSCGKSA-N
XLogP2.27
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide
CID 67772910
4-chloro-3-fluoro-N-[1-(3-hydroxyazetidin-1-yl)butan-2-yl]-N-methylbenzamide
CID 67774502
4-bromo-N-[(2S)-1-(3-hydroxyazetidin-1-yl)pentan-2-yl]-N-methylbenzamide
CID 57345461
3,4-difluoro-N-[(2S,3S)-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-2-yl]-N-methylbenzamide
CID 57345466
N-(2,5-difluorobenzoyl)-2,5-difluoro-N-tetradecylbenzamide
CID 91717117
N-[(1R)-1-cyclopentyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide;N-[(1S)-1-cyclopentyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 161098228
4-chloro-N-[1-(3-hydroxyazetidin-1-yl)propan-2-yl]-N-methylbenzamide
CID 67773383
N-[[1-(2,5-difluorobenzoyl)azetidin-2-yl]methyl]-2,5-difluoro-N-methylbenzamide
CID 166390622
3-chloro-N-[(1R)-1-cyclopentyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide
CID 57345483
N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 67772275
N-(4-aminobutan-2-yl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 113281484
3-chloro-N-[1-cyclopropyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide
CID 67774174

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide?
The IUPAC name of 2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide (CID 67774372) is 2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide.
What is the SMILES notation for 2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide?
The canonical SMILES for 2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide is CCCC[C@@H](CN1CC(O)C1)N(C)C(=O)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide?
The InChIKey is UPCFTVQCTOJZHR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24F2N2O2/c1-3-4-5-13(9-21-10-14(22)11-21)20(2)17(23)15-8-12(18)6-7-16(15)19/h6-8,13-14,22H,3-5,9-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide?
2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide has a molecular weight of 326.39 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(2S)-1-(3-hydroxyazetidin-1-yl)hexan-2-yl]-N-methylbenzamide is sourced from PubChem (CID 67774372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).