N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide

C17H22F2N2O2 — CID 67772275

IUPACN-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1)C(CN1CC(O)C1)C1CCC1
InChIInChI=1S/C17H22F2N2O2/c1-20(17(23)12-5-6-14(18)15(19)7-12)16(11-3-2-4-11)10-21-8-13(22)9-21/h5-7,11,13,16,22H,2-4,8-10H2,1H3
InChIKeyDLXOGSFVLZLESB-UHFFFAOYSA-N
MW324.37 g/mol
LogP1.88
Rot. Bonds5

About N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide

N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide (PubChem CID 67772275) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide
PubChem CID67772275
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC NameN-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)c(F)c1)C(CN1CC(O)C1)C1CCC1
InChIInChI=1S/C17H22F2N2O2/c1-20(17(23)12-5-6-14(18)15(19)7-12)16(11-3-2-4-11)10-21-8-13(22)9-21/h5-7,11,13,16,22H,2-4,8-10H2,1H3
InChIKeyDLXOGSFVLZLESB-UHFFFAOYSA-N
XLogP1.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide
CID 67772346
3-chloro-N-[(1R)-1-cyclopentyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide
CID 57345483
3-chloro-N-[1-cyclopentyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide
CID 67773815
3-chloro-N-[1-cyclopropyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide
CID 67774174
N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide
CID 67772342
3,4-difluoro-N-[(2S,3S)-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-2-yl]-N-methylbenzamide
CID 57345466
4-bromo-N-[1-cyclopropyl-2-(3-hydroxyazetidin-1-yl)ethyl]-N-methylbenzamide
CID 67773636
N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide
CID 67775255
4-chloro-3-fluoro-N-[1-(3-hydroxyazetidin-1-yl)butan-2-yl]-N-methylbenzamide
CID 67774502
4-chloro-N-[1-(3-hydroxyazetidin-1-yl)propan-2-yl]-N-methylbenzamide
CID 67773383
4-chloro-3-fluoro-N-[4-(3-hydroxyazetidin-1-yl)butan-2-yl]-N-methylbenzamide
CID 67812355

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide?
The IUPAC name of N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide (CID 67772275) is N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide?
The canonical SMILES for N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide is CN(C(=O)c1ccc(F)c(F)c1)C(CN1CC(O)C1)C1CCC1.
What is the InChIKey of N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide?
The InChIKey is DLXOGSFVLZLESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-20(17(23)12-5-6-14(18)15(19)7-12)16(11-3-2-4-11)10-21-8-13(22)9-21/h5-7,11,13,16,22H,2-4,8-10H2,1H3.
What are the key properties of N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide?
N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide has a molecular weight of 324.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide is sourced from PubChem (CID 67772275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).