2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide

C19H17F2N3O2 — CID 24818394

IUPAC2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1OC(F)F)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H17F2N3O2/c1-13(14-6-8-15(9-7-14)24-11-10-22-12-24)23-18(25)16-4-2-3-5-17(16)26-19(20)21/h2-13,19H,1H3,(H,23,25)
InChIKeyBFRSWJUEUQXTGO-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.96
Rot. Bonds6

About 2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide

2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide (PubChem CID 24818394) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
PubChem CID24818394
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1OC(F)F)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H17F2N3O2/c1-13(14-6-8-15(9-7-14)24-11-10-22-12-24)23-18(25)16-4-2-3-5-17(16)26-19(20)21/h2-13,19H,1H3,(H,23,25)
InChIKeyBFRSWJUEUQXTGO-UHFFFAOYSA-N
XLogP3.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide (CID 24818394) is 2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide is CC(NC(=O)c1ccccc1OC(F)F)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
The InChIKey is BFRSWJUEUQXTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c1-13(14-6-8-15(9-7-14)24-11-10-22-12-24)23-18(25)16-4-2-3-5-17(16)26-19(20)21/h2-13,19H,1H3,(H,23,25).
What are the key properties of 2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide?
2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide has a molecular weight of 357.36 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide is sourced from PubChem (CID 24818394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).