2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone

C23H24ClFN4O4 — CID 167810232

IUPAC2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone
SMILESO=C(COc1ccc(Cl)c(F)c1)N1CCOC(Cn2cc(CCOc3ccccc3)nn2)C1
InChIInChI=1S/C23H24ClFN4O4/c24-21-7-6-19(12-22(21)25)33-16-23(30)28-9-11-32-20(14-28)15-29-13-17(26-27-29)8-10-31-18-4-2-1-3-5-18/h1-7,12-13,20H,8-11,14-16H2
InChIKeyOPASTZZJIHQQPE-UHFFFAOYSA-N
MW474.92 g/mol
LogP3.00
Rot. Bonds9

About 2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone

2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone (PubChem CID 167810232) has the molecular formula C23H24ClFN4O4 and a molecular weight of 474.92 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone
PubChem CID167810232
Molecular FormulaC23H24ClFN4O4
Molecular Weight474.92 g/mol
Exact Mass474.15
IUPAC Name2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone
SMILESO=C(COc1ccc(Cl)c(F)c1)N1CCOC(Cn2cc(CCOc3ccccc3)nn2)C1
InChIInChI=1S/C23H24ClFN4O4/c24-21-7-6-19(12-22(21)25)33-16-23(30)28-9-11-32-20(14-28)15-29-13-17(26-27-29)8-10-31-18-4-2-1-3-5-18/h1-7,12-13,20H,8-11,14-16H2
InChIKeyOPASTZZJIHQQPE-UHFFFAOYSA-N
XLogP3.00
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone with MolForge

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-2-fluoro-1-[2-[[4-(phenylmethoxymethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone
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CID 138026114
2-(4-chlorophenoxy)-1-[2-[[1-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]triazol-4-yl]methyl]morpholin-4-yl]ethanone
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CID 92988117
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CID 42252620
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CID 46041076
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CID 52985807
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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone (CID 167810232) is 2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone is O=C(COc1ccc(Cl)c(F)c1)N1CCOC(Cn2cc(CCOc3ccccc3)nn2)C1.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone?
The InChIKey is OPASTZZJIHQQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O4/c24-21-7-6-19(12-22(21)25)33-16-23(30)28-9-11-32-20(14-28)15-29-13-17(26-27-29)8-10-31-18-4-2-1-3-5-18/h1-7,12-13,20H,8-11,14-16H2.
What are the key properties of 2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone?
2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone has a molecular weight of 474.92 g/mol, XLogP of 3.00, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)-1-[2-[[4-(2-phenoxyethyl)triazol-1-yl]methyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 167810232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).