2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide

C7H7F3IN3O — CID 613398

IUPAC2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide
SMILESO=C(NCCc1[nH]cnc1I)C(F)(F)F
InChIInChI=1S/C7H7F3IN3O/c8-7(9,10)6(15)12-2-1-4-5(11)14-3-13-4/h3H,1-2H2,(H,12,15)(H,13,14)
InChIKeyPUCKWIKNSQNLHQ-UHFFFAOYSA-N
MW333.05 g/mol
LogP1.24
Rot. Bonds3

About 2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide

2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide (PubChem CID 613398) has the molecular formula C7H7F3IN3O and a molecular weight of 333.05 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide
PubChem CID613398
Molecular FormulaC7H7F3IN3O
Molecular Weight333.05 g/mol
Exact Mass332.96
IUPAC Name2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide
SMILESO=C(NCCc1[nH]cnc1I)C(F)(F)F
InChIInChI=1S/C7H7F3IN3O/c8-7(9,10)6(15)12-2-1-4-5(11)14-3-13-4/h3H,1-2H2,(H,12,15)(H,13,14)
InChIKeyPUCKWIKNSQNLHQ-UHFFFAOYSA-N
XLogP1.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.05
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]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 2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide (CID 613398) is 2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide is O=C(NCCc1[nH]cnc1I)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide?
The InChIKey is PUCKWIKNSQNLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3IN3O/c8-7(9,10)6(15)12-2-1-4-5(11)14-3-13-4/h3H,1-2H2,(H,12,15)(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide?
2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide has a molecular weight of 333.05 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(4-iodo-1H-imidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 613398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).