2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide

C8H13F3N2O2 — CID 177368476

IUPAC2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide
SMILESCC(=O)NC(C(=O)NC(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-4(2)12-7(15)6(8(9,10)11)13-5(3)14/h4,6H,1-3H3,(H,12,15)(H,13,14)
InChIKeyNWYMGRYBPHEBTD-UHFFFAOYSA-N
MW226.20 g/mol
LogP0.58
Rot. Bonds3

About 2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide

2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide (PubChem CID 177368476) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide
PubChem CID177368476
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide
SMILESCC(=O)NC(C(=O)NC(C)C)C(F)(F)F
InChIInChI=1S/C8H13F3N2O2/c1-4(2)12-7(15)6(8(9,10)11)13-5(3)14/h4,6H,1-3H3,(H,12,15)(H,13,14)
InChIKeyNWYMGRYBPHEBTD-UHFFFAOYSA-N
XLogP0.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide 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-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide?
The IUPAC name of 2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide (CID 177368476) is 2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide?
The canonical SMILES for 2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide is CC(=O)NC(C(=O)NC(C)C)C(F)(F)F.
What is the InChIKey of 2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide?
The InChIKey is NWYMGRYBPHEBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-4(2)12-7(15)6(8(9,10)11)13-5(3)14/h4,6H,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide?
2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide has a molecular weight of 226.20 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3,3,3-trifluoro-N-propan-2-ylpropanamide is sourced from PubChem (CID 177368476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).