2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone

C23H24Cl2N4O4 — CID 154877226

IUPAC2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCOC(Cc2cn(C[C@@H](O)c3ccc(Cl)cc3)nn2)C1
InChIInChI=1S/C23H24Cl2N4O4/c24-17-3-1-16(2-4-17)22(30)14-29-12-19(26-27-29)11-21-13-28(9-10-32-21)23(31)15-33-20-7-5-18(25)6-8-20/h1-8,12,21-22,30H,9-11,13-15H2/t21?,22-/m1/s1
InChIKeyGLYUVHDYBPZOIB-FOIFJWKZSA-N
MW491.38 g/mol
LogP3.17
Rot. Bonds8

About 2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone

2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone (PubChem CID 154877226) has the molecular formula C23H24Cl2N4O4 and a molecular weight of 491.38 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone
PubChem CID154877226
Molecular FormulaC23H24Cl2N4O4
Molecular Weight491.38 g/mol
Exact Mass490.12
IUPAC Name2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCOC(Cc2cn(C[C@@H](O)c3ccc(Cl)cc3)nn2)C1
InChIInChI=1S/C23H24Cl2N4O4/c24-17-3-1-16(2-4-17)22(30)14-29-12-19(26-27-29)11-21-13-28(9-10-32-21)23(31)15-33-20-7-5-18(25)6-8-20/h1-8,12,21-22,30H,9-11,13-15H2/t21?,22-/m1/s1
InChIKeyGLYUVHDYBPZOIB-FOIFJWKZSA-N
XLogP3.17
TPSA89.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

1-[(2S)-2-(aminomethyl)morpholin-4-yl]-2-(4-chlorophenoxy)ethanone
CID 42252620
2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone
CID 167810232
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
2-(4-chlorophenoxy)-1-[2-[(2,4-difluorophenoxy)methyl]morpholin-4-yl]ethanone
CID 46041076
2-(4-aminophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81205392
2-(4-methylphenoxy)-1-[(2S)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]ethanone
CID 92757449
2-(4-chlorophenoxy)-1-[(2R)-2-[[4-(2-fluorobenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]ethanone
CID 92988117
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552824
2-[4-(2-phenoxyacetyl)morpholin-2-yl]acetic acid
CID 66421533
N-[[(2R)-4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 92988251
N-[[4-[2-(4-chlorophenoxy)acetyl]morpholin-2-yl]methyl]-N-cyclopentylfuran-2-carboxamide
CID 46059766
4-[2-(3-chloro-4-fluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 119239496

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone (CID 154877226) is 2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone is O=C(COc1ccc(Cl)cc1)N1CCOC(Cc2cn(C[C@@H](O)c3ccc(Cl)cc3)nn2)C1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone?
The InChIKey is GLYUVHDYBPZOIB-FOIFJWKZSA-N. The full InChI is InChI=1S/C23H24Cl2N4O4/c24-17-3-1-16(2-4-17)22(30)14-29-12-19(26-27-29)11-21-13-28(9-10-32-21)23(31)15-33-20-7-5-18(25)6-8-20/h1-8,12,21-22,30H,9-11,13-15H2/t21?,22-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone?
2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone has a molecular weight of 491.38 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 154877226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).