3,5-difluoro-N-(3-methylbutan-2-yl)benzamide

C12H15F2NO — CID 78795162

IUPAC3,5-difluoro-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO/c1-7(2)8(3)15-12(16)9-4-10(13)6-11(14)5-9/h4-8H,1-3H3,(H,15,16)
InChIKeySHHTZCURBMNSNH-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.74
Rot. Bonds3

About 3,5-difluoro-N-(3-methylbutan-2-yl)benzamide

3,5-difluoro-N-(3-methylbutan-2-yl)benzamide (PubChem CID 78795162) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3,5-difluoro-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name3,5-difluoro-N-(3-methylbutan-2-yl)benzamide
PubChem CID78795162
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3,5-difluoro-N-(3-methylbutan-2-yl)benzamide
SMILESCC(C)C(C)NC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C12H15F2NO/c1-7(2)8(3)15-12(16)9-4-10(13)6-11(14)5-9/h4-8H,1-3H3,(H,15,16)
InChIKeySHHTZCURBMNSNH-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 3,5-difluoro-N-(3-methylbutan-2-yl)benzamide (CID 78795162) is 3,5-difluoro-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 3,5-difluoro-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 3,5-difluoro-N-(3-methylbutan-2-yl)benzamide is CC(C)C(C)NC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 3,5-difluoro-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is SHHTZCURBMNSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-7(2)8(3)15-12(16)9-4-10(13)6-11(14)5-9/h4-8H,1-3H3,(H,15,16).
What are the key properties of 3,5-difluoro-N-(3-methylbutan-2-yl)benzamide?
3,5-difluoro-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 227.25 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 78795162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).