2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone

C20H21ClFNO3 — CID 110368917

IUPAC2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone
SMILESCC1(C)COC(c2ccccc2F)CN1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClFNO3/c1-20(2)13-26-18(16-5-3-4-6-17(16)22)11-23(20)19(24)12-25-15-9-7-14(21)8-10-15/h3-10,18H,11-13H2,1-2H3
InChIKeyHNMHAXIZMCZBIH-UHFFFAOYSA-N
MW377.84 g/mol
LogP4.24
Rot. Bonds4

About 2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone

2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone (PubChem CID 110368917) has the molecular formula C20H21ClFNO3 and a molecular weight of 377.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone
PubChem CID110368917
Molecular FormulaC20H21ClFNO3
Molecular Weight377.84 g/mol
Exact Mass377.12
IUPAC Name2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone
SMILESCC1(C)COC(c2ccccc2F)CN1C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C20H21ClFNO3/c1-20(2)13-26-18(16-5-3-4-6-17(16)22)11-23(20)19(24)12-25-15-9-7-14(21)8-10-15/h3-10,18H,11-13H2,1-2H3
InChIKeyHNMHAXIZMCZBIH-UHFFFAOYSA-N
XLogP4.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.84
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-5,5-dimethyl-N-propylmorpholine-4-carboxamide
CID 110368946
2-(4-fluorophenoxy)-1-[2-(2-fluorophenyl)morpholin-4-yl]ethanone
CID 110663787
N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide
CID 110368936
2-(4-chlorophenoxy)-1-(2,4,4-trimethyl-1,3-oxazolidin-3-yl)ethanone
CID 110740805
1-(5,5-dimethyl-2-phenylmorpholin-4-yl)-2-(4-ethoxyphenyl)ethanone
CID 110327324
4-(3-chlorophenyl)sulfonyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine
CID 110368984
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
ethyl 2-[4-[[2-(2-fluorophenyl)-5-methyl-1,3-dioxane-5-carbonyl]amino]phenoxy]acetate
CID 100779783
(4-chlorophenyl)-[2-(2-fluorophenyl)morpholin-4-yl]methanone
CID 110326668
2-(4-chlorophenoxy)-1-(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)ethanone
CID 110740545
2-(4-chlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706729
1-[(2S)-2-(2-fluorophenyl)-1,3-thiazolidin-3-yl]-2-phenoxyethanone
CID 7482427

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone (CID 110368917) is 2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone is CC1(C)COC(c2ccccc2F)CN1C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone?
The InChIKey is HNMHAXIZMCZBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO3/c1-20(2)13-26-18(16-5-3-4-6-17(16)22)11-23(20)19(24)12-25-15-9-7-14(21)8-10-15/h3-10,18H,11-13H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone?
2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone has a molecular weight of 377.84 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[2-(2-fluorophenyl)-5,5-dimethylmorpholin-4-yl]ethanone is sourced from PubChem (CID 110368917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).