[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone

C19H20FNO3 — CID 70717345

IUPAC[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCCc1ccccc1OC1CN(C(=O)c2cc(F)ccc2OC)C1
InChIInChI=1S/C19H20FNO3/c1-3-13-6-4-5-7-17(13)24-15-11-21(12-15)19(22)16-10-14(20)8-9-18(16)23-2/h4-10,15H,3,11-12H2,1-2H3
InChIKeyVLDKLSRWOGYOEF-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.30
Rot. Bonds5

About [3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone

[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 70717345) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is [3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID70717345
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCCc1ccccc1OC1CN(C(=O)c2cc(F)ccc2OC)C1
InChIInChI=1S/C19H20FNO3/c1-3-13-6-4-5-7-17(13)24-15-11-21(12-15)19(22)16-10-14(20)8-9-18(16)23-2/h4-10,15H,3,11-12H2,1-2H3
InChIKeyVLDKLSRWOGYOEF-UHFFFAOYSA-N
XLogP3.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R,5R)-3,5-dimethylpiperazin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone
CID 124590484
(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70713898
(5-fluoro-2-methoxyphenyl)-[(3R,4R)-3-(3-fluorophenoxy)-4-hydroxypyrrolidin-1-yl]methanone
CID 110147202
(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone
CID 123539708
N-(3-acetamido-4-methoxyphenyl)-3-(2-ethylphenoxy)azetidine-1-carboxamide
CID 74231302
[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone
CID 53089696
[3-(dimethylamino)phenyl]-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70710333
[3-(2-ethylphenoxy)azetidin-1-yl]-(1H-indol-5-yl)methanone
CID 70779616
(1-ethyl-5-methylpyrazol-3-yl)-[3-(2-ethylphenoxy)azetidin-1-yl]methanone
CID 70719596
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
(5-fluoro-2-methoxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023665
[2-(3-aminopropoxy)-5-methoxyphenyl]-[3-(2-fluorophenoxy)azetidin-1-yl]methanone
CID 118792922

Frequently Asked Questions

What is the IUPAC name of [3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of [3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone (CID 70717345) is [3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for [3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for [3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone is CCc1ccccc1OC1CN(C(=O)c2cc(F)ccc2OC)C1.
What is the InChIKey of [3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is VLDKLSRWOGYOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-3-13-6-4-5-7-17(13)24-15-11-21(12-15)19(22)16-10-14(20)8-9-18(16)23-2/h4-10,15H,3,11-12H2,1-2H3.
What are the key properties of [3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone?
[3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 329.37 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethylphenoxy)azetidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 70717345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).