4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

C12H10F3N3O3 — CID 167944805

IUPAC4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESCN(Cc1ncon1)C(=O)c1ccc(OC(F)F)cc1F
InChIInChI=1S/C12H10F3N3O3/c1-18(5-10-16-6-20-17-10)11(19)8-3-2-7(4-9(8)13)21-12(14)15/h2-4,6,12H,5H2,1H3
InChIKeyGZZPIBGVYQOVFU-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.08
Rot. Bonds5

About 4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide

4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (PubChem CID 167944805) has the molecular formula C12H10F3N3O3 and a molecular weight of 301.22 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
PubChem CID167944805
Molecular FormulaC12H10F3N3O3
Molecular Weight301.22 g/mol
Exact Mass301.07
IUPAC Name4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
SMILESCN(Cc1ncon1)C(=O)c1ccc(OC(F)F)cc1F
InChIInChI=1S/C12H10F3N3O3/c1-18(5-10-16-6-20-17-10)11(19)8-3-2-7(4-9(8)13)21-12(14)15/h2-4,6,12H,5H2,1H3
InChIKeyGZZPIBGVYQOVFU-UHFFFAOYSA-N
XLogP2.08
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide (CID 167944805) is 4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is CN(Cc1ncon1)C(=O)c1ccc(OC(F)F)cc1F.
What is the InChIKey of 4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
The InChIKey is GZZPIBGVYQOVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O3/c1-18(5-10-16-6-20-17-10)11(19)8-3-2-7(4-9(8)13)21-12(14)15/h2-4,6,12H,5H2,1H3.
What are the key properties of 4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide?
4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide has a molecular weight of 301.22 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-fluoro-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide is sourced from PubChem (CID 167944805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).