2-(azetidin-3-ylmethoxy)-5-chlorobenzamide

C11H13ClN2O2 — CID 71133700

IUPAC2-(azetidin-3-ylmethoxy)-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC1CNC1
InChIInChI=1S/C11H13ClN2O2/c12-8-1-2-10(9(3-8)11(13)15)16-6-7-4-14-5-7/h1-3,7,14H,4-6H2,(H2,13,15)
InChIKeyMQBJDMLGAZRLKB-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.04
Rot. Bonds4

About 2-(azetidin-3-ylmethoxy)-5-chlorobenzamide

2-(azetidin-3-ylmethoxy)-5-chlorobenzamide (PubChem CID 71133700) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethoxy)-5-chlorobenzamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethoxy)-5-chlorobenzamide
PubChem CID71133700
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2-(azetidin-3-ylmethoxy)-5-chlorobenzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC1CNC1
InChIInChI=1S/C11H13ClN2O2/c12-8-1-2-10(9(3-8)11(13)15)16-6-7-4-14-5-7/h1-3,7,14H,4-6H2,(H2,13,15)
InChIKeyMQBJDMLGAZRLKB-UHFFFAOYSA-N
XLogP1.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(piperidin-4-ylmethoxy)benzamide
CID 62493382
5-chloro-2-(2-pyrrolidin-3-ylethoxy)benzamide
CID 114796482
5-chloro-2-[(6,6-dimethylmorpholin-2-yl)methoxy]benzamide
CID 114775879
3-[(2-bromo-4-chlorophenoxy)methyl]azetidine
CID 24902414
5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
CID 9463555
3-[(5-chloro-2-methylphenoxy)methyl]azetidine
CID 126979014
2-[[(3R)-piperidin-3-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 67303342
5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide
CID 66246605
2-[(1-aminocycloheptyl)methoxy]-5-chlorobenzamide
CID 64550004
5-chloro-2-(3-cyanopropoxy)benzamide
CID 45257682
5-[[(3-chlorobenzoyl)amino]methyl]-2-(cyclohexylmethoxy)benzamide
CID 57093421
(3S)-3-[(2,4-dichlorophenoxy)methyl]pyrrolidine
CID 86320973

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethoxy)-5-chlorobenzamide?
The IUPAC name of 2-(azetidin-3-ylmethoxy)-5-chlorobenzamide (CID 71133700) is 2-(azetidin-3-ylmethoxy)-5-chlorobenzamide.
What is the SMILES notation for 2-(azetidin-3-ylmethoxy)-5-chlorobenzamide?
The canonical SMILES for 2-(azetidin-3-ylmethoxy)-5-chlorobenzamide is NC(=O)c1cc(Cl)ccc1OCC1CNC1.
What is the InChIKey of 2-(azetidin-3-ylmethoxy)-5-chlorobenzamide?
The InChIKey is MQBJDMLGAZRLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-8-1-2-10(9(3-8)11(13)15)16-6-7-4-14-5-7/h1-3,7,14H,4-6H2,(H2,13,15).
What are the key properties of 2-(azetidin-3-ylmethoxy)-5-chlorobenzamide?
2-(azetidin-3-ylmethoxy)-5-chlorobenzamide has a molecular weight of 240.69 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethoxy)-5-chlorobenzamide is sourced from PubChem (CID 71133700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).