2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide

C8H14ClFN2O2 — CID 167098393

IUPAC2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NC(=O)C(F)Cl
InChIInChI=1S/C8H14ClFN2O2/c1-4(2)11-7(13)5(3)12-8(14)6(9)10/h4-6H,1-3H3,(H,11,13)(H,12,14)
InChIKeySETBZZLASQKWFL-UHFFFAOYSA-N
MW224.66 g/mol
LogP0.55
Rot. Bonds4

About 2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide

2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide (PubChem CID 167098393) has the molecular formula C8H14ClFN2O2 and a molecular weight of 224.66 g/mol. Its IUPAC name is 2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide
PubChem CID167098393
Molecular FormulaC8H14ClFN2O2
Molecular Weight224.66 g/mol
Exact Mass224.07
IUPAC Name2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)NC(=O)C(F)Cl
InChIInChI=1S/C8H14ClFN2O2/c1-4(2)11-7(13)5(3)12-8(14)6(9)10/h4-6H,1-3H3,(H,11,13)(H,12,14)
InChIKeySETBZZLASQKWFL-UHFFFAOYSA-N
XLogP0.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.66
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-chloro-2-fluoroacetyl)amino]-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-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide (CID 167098393) is 2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)NC(=O)C(F)Cl.
What is the InChIKey of 2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide?
The InChIKey is SETBZZLASQKWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClFN2O2/c1-4(2)11-7(13)5(3)12-8(14)6(9)10/h4-6H,1-3H3,(H,11,13)(H,12,14).
What are the key properties of 2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide?
2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide has a molecular weight of 224.66 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-2-fluoroacetyl)amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 167098393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).