2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide

C11H9F2N3O2 — CID 60967966

IUPAC2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide
SMILESO=C(COc1ccc(F)cc1F)Nc1ncc[nH]1
InChIInChI=1S/C11H9F2N3O2/c12-7-1-2-9(8(13)5-7)18-6-10(17)16-11-14-3-4-15-11/h1-5H,6H2,(H2,14,15,16,17)
InChIKeyPTCBMAPUDYAYNK-UHFFFAOYSA-N
MW253.21 g/mol
LogP1.71
Rot. Bonds4

About 2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide

2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide (PubChem CID 60967966) has the molecular formula C11H9F2N3O2 and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide
PubChem CID60967966
Molecular FormulaC11H9F2N3O2
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide
SMILESO=C(COc1ccc(F)cc1F)Nc1ncc[nH]1
InChIInChI=1S/C11H9F2N3O2/c12-7-1-2-9(8(13)5-7)18-6-10(17)16-11-14-3-4-15-11/h1-5H,6H2,(H2,14,15,16,17)
InChIKeyPTCBMAPUDYAYNK-UHFFFAOYSA-N
XLogP1.71
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide (CID 60967966) is 2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide is O=C(COc1ccc(F)cc1F)Nc1ncc[nH]1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide?
The InChIKey is PTCBMAPUDYAYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O2/c12-7-1-2-9(8(13)5-7)18-6-10(17)16-11-14-3-4-15-11/h1-5H,6H2,(H2,14,15,16,17).
What are the key properties of 2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide?
2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide has a molecular weight of 253.21 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-(1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 60967966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).