2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide

C9H12Cl3N3O — CID 3439657

IUPAC2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide
SMILESCC(C)C(=O)NC(n1ccnc1)C(Cl)(Cl)Cl
InChIInChI=1S/C9H12Cl3N3O/c1-6(2)7(16)14-8(9(10,11)12)15-4-3-13-5-15/h3-6,8H,1-2H3,(H,14,16)
InChIKeyGDYLFQQPDFABKV-UHFFFAOYSA-N
MW284.57 g/mol
LogP2.52
Rot. Bonds3

About 2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide

2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide (PubChem CID 3439657) has the molecular formula C9H12Cl3N3O and a molecular weight of 284.57 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide
PubChem CID3439657
Molecular FormulaC9H12Cl3N3O
Molecular Weight284.57 g/mol
Exact Mass283.00
IUPAC Name2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide
SMILESCC(C)C(=O)NC(n1ccnc1)C(Cl)(Cl)Cl
InChIInChI=1S/C9H12Cl3N3O/c1-6(2)7(16)14-8(9(10,11)12)15-4-3-13-5-15/h3-6,8H,1-2H3,(H,14,16)
InChIKeyGDYLFQQPDFABKV-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.57
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide 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-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide?
The IUPAC name of 2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide (CID 3439657) is 2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide.
What is the SMILES notation for 2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide?
The canonical SMILES for 2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide is CC(C)C(=O)NC(n1ccnc1)C(Cl)(Cl)Cl.
What is the InChIKey of 2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide?
The InChIKey is GDYLFQQPDFABKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl3N3O/c1-6(2)7(16)14-8(9(10,11)12)15-4-3-13-5-15/h3-6,8H,1-2H3,(H,14,16).
What are the key properties of 2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide?
2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide has a molecular weight of 284.57 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trichloro-1-imidazol-1-ylethyl)propanamide is sourced from PubChem (CID 3439657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).