2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide

C12H16ClFN2O — CID 2441572

IUPAC2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide
SMILESCC(C)(C)NCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O/c1-12(2,3)15-7-11(17)16-10-5-4-8(14)6-9(10)13/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyKGXJXTHZYCQJGC-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.81
Rot. Bonds3

About 2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide

2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide (PubChem CID 2441572) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide
PubChem CID2441572
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide
SMILESCC(C)(C)NCC(=O)Nc1ccc(F)cc1Cl
InChIInChI=1S/C12H16ClFN2O/c1-12(2,3)15-7-11(17)16-10-5-4-8(14)6-9(10)13/h4-6,15H,7H2,1-3H3,(H,16,17)
InChIKeyKGXJXTHZYCQJGC-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)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-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide (CID 2441572) is 2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide is CC(C)(C)NCC(=O)Nc1ccc(F)cc1Cl.
What is the InChIKey of 2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide?
The InChIKey is KGXJXTHZYCQJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-12(2,3)15-7-11(17)16-10-5-4-8(14)6-9(10)13/h4-6,15H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide?
2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide has a molecular weight of 258.72 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(2-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 2441572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).