2-chloro-N-[2-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide

C17H22ClFN2O2 — CID 67812430

IUPAC2-chloro-N-[2-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide
SMILESCN(CC(C1CCC1)N1CC(O)C1)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H22ClFN2O2/c1-20(17(23)14-6-5-12(19)7-15(14)18)10-16(11-3-2-4-11)21-8-13(22)9-21/h5-7,11,13,16,22H,2-4,8-10H2,1H3
InChIKeyUPCYBPYLXHIMCL-UHFFFAOYSA-N
MW340.83 g/mol
LogP2.40
Rot. Bonds5

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

2-chloro-N-[2-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide (PubChem CID 67812430) has the molecular formula C17H22ClFN2O2 and a molecular weight of 340.83 g/mol. Its IUPAC name is 2-chloro-N-[2-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide
PubChem CID67812430
Molecular FormulaC17H22ClFN2O2
Molecular Weight340.83 g/mol
Exact Mass340.14
IUPAC Name2-chloro-N-[2-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide
SMILESCN(CC(C1CCC1)N1CC(O)C1)C(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C17H22ClFN2O2/c1-20(17(23)14-6-5-12(19)7-15(14)18)10-16(11-3-2-4-11)21-8-13(22)9-21/h5-7,11,13,16,22H,2-4,8-10H2,1H3
InChIKeyUPCYBPYLXHIMCL-UHFFFAOYSA-N
XLogP2.40
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.83
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-chloro-N-(2-cyclopropyl-2-pyrrolidin-1-ylethyl)-4-fluoro-N-methylbenzamide
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N-(3-bromopropyl)-2-chloro-4-fluoro-N-methylbenzamide
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N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
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2-chloro-4-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78768857
(2-chloro-4-fluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
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2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
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(2-chloro-4-fluorophenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916558

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of 2-chloro-N-[2-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide (CID 67812430) is 2-chloro-N-[2-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-[2-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide is CN(CC(C1CCC1)N1CC(O)C1)C(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide?
The InChIKey is UPCYBPYLXHIMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2O2/c1-20(17(23)14-6-5-12(19)7-15(14)18)10-16(11-3-2-4-11)21-8-13(22)9-21/h5-7,11,13,16,22H,2-4,8-10H2,1H3.
What are the key properties of 2-chloro-N-[2-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide?
2-chloro-N-[2-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide has a molecular weight of 340.83 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 67812430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).