2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone

C17H19Cl2N5O2 — CID 136521617

IUPAC2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
SMILESO=C(C(c1ccc(Cl)cc1Cl)N1CCOCC1)N1CC(n2ccnn2)C1
InChIInChI=1S/C17H19Cl2N5O2/c18-12-1-2-14(15(19)9-12)16(22-5-7-26-8-6-22)17(25)23-10-13(11-23)24-4-3-20-21-24/h1-4,9,13,16H,5-8,10-11H2
InChIKeyOSLKATRGEKJIBY-UHFFFAOYSA-N
MW396.28 g/mol
LogP2.04
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone

2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone (PubChem CID 136521617) has the molecular formula C17H19Cl2N5O2 and a molecular weight of 396.28 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
PubChem CID136521617
Molecular FormulaC17H19Cl2N5O2
Molecular Weight396.28 g/mol
Exact Mass395.09
IUPAC Name2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone
SMILESO=C(C(c1ccc(Cl)cc1Cl)N1CCOCC1)N1CC(n2ccnn2)C1
InChIInChI=1S/C17H19Cl2N5O2/c18-12-1-2-14(15(19)9-12)16(22-5-7-26-8-6-22)17(25)23-10-13(11-23)24-4-3-20-21-24/h1-4,9,13,16H,5-8,10-11H2
InChIKeyOSLKATRGEKJIBY-UHFFFAOYSA-N
XLogP2.04
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone (CID 136521617) is 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone is O=C(C(c1ccc(Cl)cc1Cl)N1CCOCC1)N1CC(n2ccnn2)C1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
The InChIKey is OSLKATRGEKJIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O2/c18-12-1-2-14(15(19)9-12)16(22-5-7-26-8-6-22)17(25)23-10-13(11-23)24-4-3-20-21-24/h1-4,9,13,16H,5-8,10-11H2.
What are the key properties of 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone?
2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone has a molecular weight of 396.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-morpholin-4-yl-1-[3-(triazol-1-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 136521617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).