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

C10H10ClF3N2O2 — CID 54962260

IUPAC2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1cc(Cl)ccc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O2/c11-6-1-2-8(7(15)3-6)18-4-9(17)16-5-10(12,13)14/h1-3H,4-5,15H2,(H,16,17)
InChIKeyKHNAMJQKIXTTCB-UHFFFAOYSA-N
MW282.65 g/mol
LogP1.98
Rot. Bonds4

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

2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 54962260) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID54962260
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Name2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1cc(Cl)ccc1OCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O2/c11-6-1-2-8(7(15)3-6)18-4-9(17)16-5-10(12,13)14/h1-3H,4-5,15H2,(H,16,17)
InChIKeyKHNAMJQKIXTTCB-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'}

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Related Compounds

2-[4-chloro-2-(methylaminomethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492473
2-(2-amino-4-chlorophenoxy)-N-(3-methylbutyl)acetamide
CID 54957202
2-(5-amino-2-methoxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 61492512
2-(4-amino-2,5-dimethylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55159605
2-(5-amino-2-methylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54961587
2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 113338147
2-amino-4-chloro-N-(2,2,2-trifluoroethyl)benzamide
CID 24707243
2-(2,5-dichlorophenoxy)-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104858144
2-(2-chloro-4-nitrophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 7865843
2-[2-(2-aminoethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492340
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-N-(2,2,2-trifluoroethyl)acetamide
CID 107698258
2-(4-fluoro-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 82917421

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide (CID 54962260) is 2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is Nc1cc(Cl)ccc1OCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KHNAMJQKIXTTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c11-6-1-2-8(7(15)3-6)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-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-amino-4-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-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 54962260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).