2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide

C11H8F3N3O — CID 110470971

IUPAC2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)10(18)16-8-1-3-9(4-2-8)17-6-5-15-7-17/h1-7H,(H,16,18)
InChIKeySRHRYCNNXGYBDI-UHFFFAOYSA-N
MW255.20 g/mol
LogP2.37
Rot. Bonds2

About 2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide

2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide (PubChem CID 110470971) has the molecular formula C11H8F3N3O and a molecular weight of 255.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide
PubChem CID110470971
Molecular FormulaC11H8F3N3O
Molecular Weight255.20 g/mol
Exact Mass255.06
IUPAC Name2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide
SMILESO=C(Nc1ccc(-n2ccnc2)cc1)C(F)(F)F
InChIInChI=1S/C11H8F3N3O/c12-11(13,14)10(18)16-8-1-3-9(4-2-8)17-6-5-15-7-17/h1-7H,(H,16,18)
InChIKeySRHRYCNNXGYBDI-UHFFFAOYSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.20
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide (CID 110470971) is 2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide is O=C(Nc1ccc(-n2ccnc2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide?
The InChIKey is SRHRYCNNXGYBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O/c12-11(13,14)10(18)16-8-1-3-9(4-2-8)17-6-5-15-7-17/h1-7H,(H,16,18).
What are the key properties of 2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide?
2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide has a molecular weight of 255.20 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(4-imidazol-1-ylphenyl)acetamide is sourced from PubChem (CID 110470971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).