(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone

C19H20FNO3 — CID 53034644

IUPAC(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C19H20FNO3/c1-2-23-18-6-4-3-5-17(18)19(22)21-11-16(12-21)24-13-14-7-9-15(20)10-8-14/h3-10,16H,2,11-13H2,1H3
InChIKeyDBZXNNXLGZONCM-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.27
Rot. Bonds6

About (2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone

(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone (PubChem CID 53034644) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
PubChem CID53034644
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CC(OCc2ccc(F)cc2)C1
InChIInChI=1S/C19H20FNO3/c1-2-23-18-6-4-3-5-17(18)19(22)21-11-16(12-21)24-13-14-7-9-15(20)10-8-14/h3-10,16H,2,11-13H2,1H3
InChIKeyDBZXNNXLGZONCM-UHFFFAOYSA-N
XLogP3.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(3-fluoro-4-methoxyphenyl)methoxy]azetidin-1-yl]-(2-methoxyphenyl)methanone
CID 53089696
(3-ethoxyazetidin-1-yl)-(2-methoxyphenyl)methanone
CID 123539708
[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]-(4-methylphenyl)methanone
CID 53034640
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-(2-ethoxyphenyl)methanone
CID 121022721
(2-fluorophenyl)-[3-[(4-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844111
(3-amino-4-methylpyrrolidin-1-yl)-(2-ethoxyphenyl)methanone
CID 103576058
1-[4-[2-[(4-fluorophenyl)methoxy]benzoyl]-1,4-diazepan-1-yl]ethanone
CID 134039062
(3S)-1-[2-[(4-fluorophenyl)methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124703449
[2-[(4-fluorophenyl)methoxy]phenyl]-(3-hydroxypiperidin-1-yl)methanone
CID 110878351
(2-ethoxyphenyl)-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]methanone
CID 90627456
[4-(2-chlorobenzoyl)piperazin-1-yl]-[2-[(4-fluorophenyl)methoxy]phenyl]methanone
CID 31307424
(2-ethoxyphenyl)-[3-(triazol-2-yl)azetidin-1-yl]methanone
CID 131701893

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone (CID 53034644) is (2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone is CCOc1ccccc1C(=O)N1CC(OCc2ccc(F)cc2)C1.
What is the InChIKey of (2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone?
The InChIKey is DBZXNNXLGZONCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-2-23-18-6-4-3-5-17(18)19(22)21-11-16(12-21)24-13-14-7-9-15(20)10-8-14/h3-10,16H,2,11-13H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone?
(2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone has a molecular weight of 329.37 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[3-[(4-fluorophenyl)methoxy]azetidin-1-yl]methanone is sourced from PubChem (CID 53034644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).