2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

C10H10ClF3N2O2 — CID 62111954

IUPAC2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ccc(OCC(=O)NCC(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c11-7-3-6(1-2-8(7)15)18-4-9(17)16-5-10(12,13)14/h1-3H,4-5,15H2,(H,16,17)
InChIKeyYZDKIAHHHVVZII-UHFFFAOYSA-N
MW282.65 g/mol
LogP1.98
Rot. Bonds4

About 2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide

2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62111954) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62111954
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Name2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1ccc(OCC(=O)NCC(F)(F)F)cc1Cl
InChIInChI=1S/C10H10ClF3N2O2/c11-7-3-6(1-2-8(7)15)18-4-9(17)16-5-10(12,13)14/h1-3H,4-5,15H2,(H,16,17)
InChIKeyYZDKIAHHHVVZII-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)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-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 62111954) is 2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is Nc1ccc(OCC(=O)NCC(F)(F)F)cc1Cl.
What is the InChIKey of 2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YZDKIAHHHVVZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c11-7-3-6(1-2-8(7)15)18-4-9(17)16-5-10(12,13)14/h1-3H,4-5,15H2,(H,16,17).
What are the key properties of 2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 282.65 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62111954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).