2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide

C18H18ClFN2O3 — CID 4880796

IUPAC2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H18ClFN2O3/c19-16-11-15(5-6-17(16)20)25-12-18(23)21-13-1-3-14(4-2-13)22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyUWHUGXVQJTWXRV-UHFFFAOYSA-N
MW364.80 g/mol
LogP3.33
Rot. Bonds5

About 2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide

2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 4880796) has the molecular formula C18H18ClFN2O3 and a molecular weight of 364.80 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID4880796
Molecular FormulaC18H18ClFN2O3
Molecular Weight364.80 g/mol
Exact Mass364.10
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide
SMILESO=C(COc1ccc(F)c(Cl)c1)Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C18H18ClFN2O3/c19-16-11-15(5-6-17(16)20)25-12-18(23)21-13-1-3-14(4-2-13)22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,21,23)
InChIKeyUWHUGXVQJTWXRV-UHFFFAOYSA-N
XLogP3.33
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide (CID 4880796) is 2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide is O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is UWHUGXVQJTWXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O3/c19-16-11-15(5-6-17(16)20)25-12-18(23)21-13-1-3-14(4-2-13)22-7-9-24-10-8-22/h1-6,11H,7-10,12H2,(H,21,23).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide?
2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 364.80 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 4880796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).