2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide

C12H11F2N3O2 — CID 60967369

IUPAC2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)Nc1ncc[nH]1
InChIInChI=1S/C12H11F2N3O2/c13-11(14)19-9-3-1-8(2-4-9)7-10(18)17-12-15-5-6-16-12/h1-6,11H,7H2,(H2,15,16,17,18)
InChIKeyXPTRMGCWTWXWHS-UHFFFAOYSA-N
MW267.24 g/mol
LogP2.19
Rot. Bonds5

About 2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide

2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide (PubChem CID 60967369) has the molecular formula C12H11F2N3O2 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide
PubChem CID60967369
Molecular FormulaC12H11F2N3O2
Molecular Weight267.24 g/mol
Exact Mass267.08
IUPAC Name2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide
SMILESO=C(Cc1ccc(OC(F)F)cc1)Nc1ncc[nH]1
InChIInChI=1S/C12H11F2N3O2/c13-11(14)19-9-3-1-8(2-4-9)7-10(18)17-12-15-5-6-16-12/h1-6,11H,7H2,(H2,15,16,17,18)
InChIKeyXPTRMGCWTWXWHS-UHFFFAOYSA-N
XLogP2.19
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide (CID 60967369) is 2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide is O=C(Cc1ccc(OC(F)F)cc1)Nc1ncc[nH]1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide?
The InChIKey is XPTRMGCWTWXWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O2/c13-11(14)19-9-3-1-8(2-4-9)7-10(18)17-12-15-5-6-16-12/h1-6,11H,7H2,(H2,15,16,17,18).
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide?
2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide has a molecular weight of 267.24 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-2-yl)acetamide is sourced from PubChem (CID 60967369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).