4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one

C23H25F3N2O3 — CID 47068005

IUPAC4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one
SMILESCC(C)(CN1C(=O)C(Oc2ccccc2F)C1c1cc(F)ccc1F)N1CCOCC1
InChIInChI=1S/C23H25F3N2O3/c1-23(2,27-9-11-30-12-10-27)14-28-20(16-13-15(24)7-8-17(16)25)21(22(28)29)31-19-6-4-3-5-18(19)26/h3-8,13,20-21H,9-12,14H2,1-2H3
InChIKeyTZAAKXZSNYLUQE-UHFFFAOYSA-N
MW434.46 g/mol
LogP3.55
Rot. Bonds6

About 4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one

4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one (PubChem CID 47068005) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one
PubChem CID47068005
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one
SMILESCC(C)(CN1C(=O)C(Oc2ccccc2F)C1c1cc(F)ccc1F)N1CCOCC1
InChIInChI=1S/C23H25F3N2O3/c1-23(2,27-9-11-30-12-10-27)14-28-20(16-13-15(24)7-8-17(16)25)21(22(28)29)31-19-6-4-3-5-18(19)26/h3-8,13,20-21H,9-12,14H2,1-2H3
InChIKeyTZAAKXZSNYLUQE-UHFFFAOYSA-N
XLogP3.55
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 95862544
2-amino-7-(2-bromo-4-fluorophenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 46216380
4-[1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-methylpropan-2-yl]morpholine
CID 56881417
2-amino-7-(4-fluoro-2-pyrimidin-5-ylphenyl)-4-methyl-6-(2-methyl-2-morpholin-4-ylpropyl)-7,8-dihydropyrido[4,3-d]pyrimidin-5-one
CID 46216383
N-[(2-fluorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643365
1-(2,4-difluorophenyl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 79045728
1-[2-(2,4-difluorophenoxy)ethyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111784291
tert-butyl N-[(3S)-1-benzyl-2-(2,5-difluorophenyl)-6-oxopiperidin-3-yl]carbamate
CID 58431803
1-(2,5-difluorophenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79065702
4-[1-[(3S)-3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 95415448
1-[2-(2,5-difluorophenyl)ethyl]-2-methyl-3-(2-methyl-2-morpholin-4-ylpropyl)guanidine
CID 111965687
2,4-difluoro-N-[4-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4-oxobutyl]benzamide
CID 51192724

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one?
The IUPAC name of 4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one (CID 47068005) is 4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one.
What is the SMILES notation for 4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one?
The canonical SMILES for 4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one is CC(C)(CN1C(=O)C(Oc2ccccc2F)C1c1cc(F)ccc1F)N1CCOCC1.
What is the InChIKey of 4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one?
The InChIKey is TZAAKXZSNYLUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c1-23(2,27-9-11-30-12-10-27)14-28-20(16-13-15(24)7-8-17(16)25)21(22(28)29)31-19-6-4-3-5-18(19)26/h3-8,13,20-21H,9-12,14H2,1-2H3.
What are the key properties of 4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one?
4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one has a molecular weight of 434.46 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-3-(2-fluorophenoxy)-1-(2-methyl-2-morpholin-4-ylpropyl)azetidin-2-one is sourced from PubChem (CID 47068005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).