(2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide

C14H19ClN2O2 — CID 124851882

IUPAC(2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)N1CC(Oc2cccc(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O2/c1-3-16-14(18)10(2)17-8-13(9-17)19-12-6-4-5-11(15)7-12/h4-7,10,13H,3,8-9H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyTUOJKQCNWMATHW-SNVBAGLBSA-N
MW282.77 g/mol
LogP1.93
Rot. Bonds5

About (2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide

(2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide (PubChem CID 124851882) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide
PubChem CID124851882
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)[C@@H](C)N1CC(Oc2cccc(Cl)c2)C1
InChIInChI=1S/C14H19ClN2O2/c1-3-16-14(18)10(2)17-8-13(9-17)19-12-6-4-5-11(15)7-12/h4-7,10,13H,3,8-9H2,1-2H3,(H,16,18)/t10-/m1/s1
InChIKeyTUOJKQCNWMATHW-SNVBAGLBSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-ethylsulfanylethanone
CID 90652097
(2R)-2-(3-chlorophenoxy)-N-ethylbutanamide
CID 99131342
3-(3-chlorophenoxy)azetidine-1-carbonyl chloride
CID 15042230
2-[4-[1-(3-chlorophenyl)pyrrolidin-3-yl]oxyphenyl]-N-ethylpropanamide
CID 123251215
4-(3-chlorophenoxy)-N-(3-methylbutyl)piperidine-1-carboxamide
CID 110356943
2-(3-chlorophenoxy)-1-[3-(3-methylphenoxy)azetidin-1-yl]propan-1-one
CID 131900131
1-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120705467
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-2-[3-(3-methoxyphenoxy)azetidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95127937
4-acetyl-N'-[2-(3-chlorophenoxy)propyl]-N-ethylpiperazine-1-carboximidamide
CID 111493498
1-[3-(3-chlorophenoxy)azetidin-1-yl]-2-thiophen-2-ylethanone
CID 77090716
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide?
The IUPAC name of (2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide (CID 124851882) is (2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide.
What is the SMILES notation for (2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide?
The canonical SMILES for (2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide is CCNC(=O)[C@@H](C)N1CC(Oc2cccc(Cl)c2)C1.
What is the InChIKey of (2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide?
The InChIKey is TUOJKQCNWMATHW-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-3-16-14(18)10(2)17-8-13(9-17)19-12-6-4-5-11(15)7-12/h4-7,10,13H,3,8-9H2,1-2H3,(H,16,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide?
(2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide has a molecular weight of 282.77 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(3-chlorophenoxy)azetidin-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 124851882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).