N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide

C18H25FN2O2 — CID 67772346

IUPACN-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)C(CN2CC(O)C2)C2CCC2)ccc1F
InChIInChI=1S/C18H25FN2O2/c1-12-8-14(6-7-16(12)19)18(23)20(2)17(13-4-3-5-13)11-21-9-15(22)10-21/h6-8,13,15,17,22H,3-5,9-11H2,1-2H3
InChIKeyOULBWZJVSUHKNR-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.05
Rot. Bonds5

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

N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide (PubChem CID 67772346) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide
PubChem CID67772346
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC NameN-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide
SMILESCc1cc(C(=O)N(C)C(CN2CC(O)C2)C2CCC2)ccc1F
InChIInChI=1S/C18H25FN2O2/c1-12-8-14(6-7-16(12)19)18(23)20(2)17(13-4-3-5-13)11-21-9-15(22)10-21/h6-8,13,15,17,22H,3-5,9-11H2,1-2H3
InChIKeyOULBWZJVSUHKNR-UHFFFAOYSA-N
XLogP2.05
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 67772275
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
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
N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide
CID 67772342
3-chloro-N-[1-cyclopropyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide
CID 67774174
4-bromo-N-[1-cyclopropyl-2-(3-hydroxyazetidin-1-yl)ethyl]-N-methylbenzamide
CID 67773636
4-fluoro-N-[(2S)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-2-yl]-N,3-dimethylbenzamide
CID 67772635
3,4-difluoro-N-[(2S,3S)-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-2-yl]-N-methylbenzamide
CID 57345466
N-[2-(azetidin-1-yl)-1-cyclopropylethyl]-4-chloro-N-methylbenzamide
CID 67775255
N-[1-(azetidin-1-yl)-3-methylbutan-2-yl]-4-fluoro-N,3-dimethylbenzamide
CID 67773483
N-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide
CID 67773950

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide?
The IUPAC name of N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide (CID 67772346) is N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide.
What is the SMILES notation for N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide?
The canonical SMILES for N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide is Cc1cc(C(=O)N(C)C(CN2CC(O)C2)C2CCC2)ccc1F.
What is the InChIKey of N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide?
The InChIKey is OULBWZJVSUHKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-12-8-14(6-7-16(12)19)18(23)20(2)17(13-4-3-5-13)11-21-9-15(22)10-21/h6-8,13,15,17,22H,3-5,9-11H2,1-2H3.
What are the key properties of N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide?
N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N,3-dimethylbenzamide has a molecular weight of 320.41 g/mol, XLogP of 2.05, 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]-4-fluoro-N,3-dimethylbenzamide is sourced from PubChem (CID 67772346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).