2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone

C19H18ClF2NO4 — CID 46041076

IUPAC2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCOC(COc2ccc(F)cc2F)C1
InChIInChI=1S/C19H18ClF2NO4/c20-13-1-4-15(5-2-13)26-12-19(24)23-7-8-25-16(10-23)11-27-18-6-3-14(21)9-17(18)22/h1-6,9,16H,7-8,10-12H2
InChIKeyOAWYRDKJYJSVEL-UHFFFAOYSA-N
MW397.81 g/mol
LogP3.30
Rot. Bonds6

About 2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone

2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone (PubChem CID 46041076) has the molecular formula C19H18ClF2NO4 and a molecular weight of 397.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone
PubChem CID46041076
Molecular FormulaC19H18ClF2NO4
Molecular Weight397.81 g/mol
Exact Mass397.09
IUPAC Name2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCOC(COc2ccc(F)cc2F)C1
InChIInChI=1S/C19H18ClF2NO4/c20-13-1-4-15(5-2-13)26-12-19(24)23-7-8-25-16(10-23)11-27-18-6-3-14(21)9-17(18)22/h1-6,9,16H,7-8,10-12H2
InChIKeyOAWYRDKJYJSVEL-UHFFFAOYSA-N
XLogP3.30
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.81
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

(4-chlorophenyl)-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]methanone
CID 46059327
2-(4-fluorophenoxy)-1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 129316369
1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 42252620
(2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 129366670
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]-(furan-2-yl)methanone
CID 46041071
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807
[2-[(3,4-difluorophenoxy)methyl]morpholin-4-yl]-(2,4-difluorophenyl)methanone
CID 71955615
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
2-(2,6-difluorophenyl)-1-[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46100170
2-(2,6-difluorophenyl)-1-[(2S)-2-[(4-fluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 92757982

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone (CID 46041076) is 2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone is O=C(COc1ccc(Cl)cc1)N1CCOC(COc2ccc(F)cc2F)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone?
The InChIKey is OAWYRDKJYJSVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2NO4/c20-13-1-4-15(5-2-13)26-12-19(24)23-7-8-25-16(10-23)11-27-18-6-3-14(21)9-17(18)22/h1-6,9,16H,7-8,10-12H2.
What are the key properties of 2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone?
2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone has a molecular weight of 397.81 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 46041076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).