4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide

C16H10BrF2N3O2 — CID 154793756

IUPAC4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCc1ccc(-c2nonc2NC(=O)c2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C16H10BrF2N3O2/c1-8-2-4-9(5-3-8)14-15(22-24-21-14)20-16(23)13-11(18)6-10(17)7-12(13)19/h2-7H,1H3,(H,20,22,23)
InChIKeyIECUPDMEYNWYGE-UHFFFAOYSA-N
MW394.18 g/mol
LogP4.34
Rot. Bonds3

About 4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide

4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide (PubChem CID 154793756) has the molecular formula C16H10BrF2N3O2 and a molecular weight of 394.18 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
PubChem CID154793756
Molecular FormulaC16H10BrF2N3O2
Molecular Weight394.18 g/mol
Exact Mass392.99
IUPAC Name4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCc1ccc(-c2nonc2NC(=O)c2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C16H10BrF2N3O2/c1-8-2-4-9(5-3-8)14-15(22-24-21-14)20-16(23)13-11(18)6-10(17)7-12(13)19/h2-7H,1H3,(H,20,22,23)
InChIKeyIECUPDMEYNWYGE-UHFFFAOYSA-N
XLogP4.34
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.18
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The IUPAC name of 4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide (CID 154793756) is 4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The canonical SMILES for 4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide is Cc1ccc(-c2nonc2NC(=O)c2c(F)cc(Br)cc2F)cc1.
What is the InChIKey of 4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The InChIKey is IECUPDMEYNWYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF2N3O2/c1-8-2-4-9(5-3-8)14-15(22-24-21-14)20-16(23)13-11(18)6-10(17)7-12(13)19/h2-7H,1H3,(H,20,22,23).
What are the key properties of 4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide?
4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide has a molecular weight of 394.18 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-difluoro-N-[4-(4-methylphenyl)-1,2,5-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 154793756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).