2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C7H10ClF3N2O2 — CID 60812594

IUPAC2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)CCl
InChIInChI=1S/C7H10ClF3N2O2/c1-13(6(15)2-8)3-5(14)12-4-7(9,10)11/h2-4H2,1H3,(H,12,14)
InChIKeyNJFSKFWREDXOAD-UHFFFAOYSA-N
MW246.62 g/mol
LogP0.36
Rot. Bonds4

About 2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60812594) has the molecular formula C7H10ClF3N2O2 and a molecular weight of 246.62 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60812594
Molecular FormulaC7H10ClF3N2O2
Molecular Weight246.62 g/mol
Exact Mass246.04
IUPAC Name2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)C(=O)CCl
InChIInChI=1S/C7H10ClF3N2O2/c1-13(6(15)2-8)3-5(14)12-4-7(9,10)11/h2-4H2,1H3,(H,12,14)
InChIKeyNJFSKFWREDXOAD-UHFFFAOYSA-N
XLogP0.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.62
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-chloroacetyl)-methylamino]-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-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60812594) is 2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)C(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NJFSKFWREDXOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF3N2O2/c1-13(6(15)2-8)3-5(14)12-4-7(9,10)11/h2-4H2,1H3,(H,12,14).
What are the key properties of 2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 246.62 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60812594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).