2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide

C18H14F3N3O2 — CID 11545014

IUPAC2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(-n2ccnc2)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)15-3-1-2-4-16(15)23-17(25)11-26-14-7-5-13(6-8-14)24-10-9-22-12-24/h1-10,12H,11H2,(H,23,25)
InChIKeyAGZYJOAZLSJNKJ-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.91
Rot. Bonds5

About 2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 11545014) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID11545014
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(-n2ccnc2)cc1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)15-3-1-2-4-16(15)23-17(25)11-26-14-7-5-13(6-8-14)24-10-9-22-12-24/h1-10,12H,11H2,(H,23,25)
InChIKeyAGZYJOAZLSJNKJ-UHFFFAOYSA-N
XLogP3.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-imidazol-1-ylphenoxy)-N-[2-(iodomethyl)phenyl]acetamide
CID 89365128
2-(4-bromophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1068388
2-(4-tert-butylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1185791
N-(1,3-benzothiazol-2-yl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 86304256
N-(3,5-dimethoxyphenyl)-2-(4-imidazol-1-ylphenoxy)acetamide
CID 4881019
2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 52770659
2-(3,5-dimethoxyphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7713877
4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]-N-(2-phenylethyl)benzamide
CID 1182090
N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1188045
2-(4-pyrrolidin-1-ylsulfonylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 45374722
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 122312192
2-(4-imidazol-1-ylphenoxy)-N-[4-(1,3-thiazol-5-yl)phenyl]acetamide
CID 86304415

Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 11545014) is 2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(COc1ccc(-n2ccnc2)cc1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is AGZYJOAZLSJNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)15-3-1-2-4-16(15)23-17(25)11-26-14-7-5-13(6-8-14)24-10-9-22-12-24/h1-10,12H,11H2,(H,23,25).
What are the key properties of 2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 361.32 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazol-1-ylphenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 11545014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).