(2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone

C19H19F2NO3 — CID 70768902

IUPAC(2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone
SMILESCOc1ccc(F)c(F)c1C(=O)N1CC(Oc2c(C)cccc2C)C1
InChIInChI=1S/C19H19F2NO3/c1-11-5-4-6-12(2)18(11)25-13-9-22(10-13)19(23)16-15(24-3)8-7-14(20)17(16)21/h4-8,13H,9-10H2,1-3H3
InChIKeyNAFPEGQUQDKTEZ-UHFFFAOYSA-N
MW347.36 g/mol
LogP3.49
Rot. Bonds4

About (2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone

(2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone (PubChem CID 70768902) has the molecular formula C19H19F2NO3 and a molecular weight of 347.36 g/mol. Its IUPAC name is (2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone
PubChem CID70768902
Molecular FormulaC19H19F2NO3
Molecular Weight347.36 g/mol
Exact Mass347.13
IUPAC Name(2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone
SMILESCOc1ccc(F)c(F)c1C(=O)N1CC(Oc2c(C)cccc2C)C1
InChIInChI=1S/C19H19F2NO3/c1-11-5-4-6-12(2)18(11)25-13-9-22(10-13)19(23)16-15(24-3)8-7-14(20)17(16)21/h4-8,13H,9-10H2,1-3H3
InChIKeyNAFPEGQUQDKTEZ-UHFFFAOYSA-N
XLogP3.49
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(4,6-dimethylpyrimidin-5-yl)methanone
CID 131930553
[(1S,2S,6R,7R)-4-azatricyclo[5.2.1.02,6]decan-4-yl]-(2,3-difluoro-6-methoxyphenyl)methanone
CID 56865227
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 70718276
(3S,4R)-1-(2,3-difluoro-6-methoxybenzoyl)-4-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 70762104
3-(2,3,6-trifluorophenoxy)azetidine-1-carboxylic acid
CID 134521650
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 131889781
(2,6-difluorophenyl)-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 122249513
[3-(2,6-dimethylphenoxy)azetidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 70712754
(5-chloro-2-methoxyphenyl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70713898
(2,3-difluoro-6-methoxyphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70748748
[(3R,4S)-3-amino-4-propan-2-ylpyrrolidin-1-yl]-(2,6-difluoro-3-methoxyphenyl)methanone
CID 72937120
4-amino-1-[3-(2,6-dimethylphenoxy)azetidin-1-yl]-3-hydroxybutan-1-one
CID 72936591

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone?
The IUPAC name of (2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone (CID 70768902) is (2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone.
What is the SMILES notation for (2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone?
The canonical SMILES for (2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone is COc1ccc(F)c(F)c1C(=O)N1CC(Oc2c(C)cccc2C)C1.
What is the InChIKey of (2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone?
The InChIKey is NAFPEGQUQDKTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO3/c1-11-5-4-6-12(2)18(11)25-13-9-22(10-13)19(23)16-15(24-3)8-7-14(20)17(16)21/h4-8,13H,9-10H2,1-3H3.
What are the key properties of (2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone?
(2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone has a molecular weight of 347.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-6-methoxyphenyl)-[3-(2,6-dimethylphenoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 70768902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).