2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide

C18H16FN3O — CID 50847572

IUPAC2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESO=C(Cc1ccccc1F)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16FN3O/c19-17-4-2-1-3-15(17)11-18(23)21-12-14-5-7-16(8-6-14)22-10-9-20-13-22/h1-10,13H,11-12H2,(H,21,23)
InChIKeyFMGNDTGJYZSXQX-UHFFFAOYSA-N
MW309.34 g/mol
LogP2.87
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide

2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (PubChem CID 50847572) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
PubChem CID50847572
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Name2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
SMILESO=C(Cc1ccccc1F)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16FN3O/c19-17-4-2-1-3-15(17)11-18(23)21-12-14-5-7-16(8-6-14)22-10-9-20-13-22/h1-10,13H,11-12H2,(H,21,23)
InChIKeyFMGNDTGJYZSXQX-UHFFFAOYSA-N
XLogP2.87
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084
2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99609547
4-[(2-fluorophenyl)methyl-methylsulfonylamino]-N-[(4-imidazol-1-ylphenyl)methyl]benzamide
CID 46764281
2-[N-(dimethylsulfamoyl)-2-fluoroanilino]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 46772726
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
1-(3,4-difluorophenyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 171697953
N-[(4-imidazol-1-ylphenyl)methyl]-5-methoxypentanamide
CID 86872246
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 30307008
2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
N-[2-[(4-imidazol-1-ylphenyl)methylamino]ethyl]-2-methylpropanamide;hydrochloride
CID 47008281
N-[(4-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 92678471
2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 52770659

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide (CID 50847572) is 2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is O=C(Cc1ccccc1F)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
The InChIKey is FMGNDTGJYZSXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-17-4-2-1-3-15(17)11-18(23)21-12-14-5-7-16(8-6-14)22-10-9-20-13-22/h1-10,13H,11-12H2,(H,21,23).
What are the key properties of 2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide?
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide has a molecular weight of 309.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 50847572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).