2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide

C18H17F3N2O2 — CID 110428777

IUPAC2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cc1ccc(N2CCOCC2)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O2/c19-14-5-6-15(18(21)17(14)20)22-16(24)11-12-1-3-13(4-2-12)23-7-9-25-10-8-23/h1-6H,7-11H2,(H,22,24)
InChIKeyURIUDKMXVMOKMG-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.12
Rot. Bonds4

About 2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide

2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 110428777) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID110428777
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC Name2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide
SMILESO=C(Cc1ccc(N2CCOCC2)cc1)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C18H17F3N2O2/c19-14-5-6-15(18(21)17(14)20)22-16(24)11-12-1-3-13(4-2-12)23-7-9-25-10-8-23/h1-6H,7-11H2,(H,22,24)
InChIKeyURIUDKMXVMOKMG-UHFFFAOYSA-N
XLogP3.12
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide (CID 110428777) is 2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide is O=C(Cc1ccc(N2CCOCC2)cc1)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is URIUDKMXVMOKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-14-5-6-15(18(21)17(14)20)22-16(24)11-12-1-3-13(4-2-12)23-7-9-25-10-8-23/h1-6H,7-11H2,(H,22,24).
What are the key properties of 2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide?
2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 350.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylphenyl)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 110428777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).