2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide

C17H15F2NO2 — CID 12010034

IUPAC2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1c(F)cccc1F)C(=O)c1ccccc1
InChIInChI=1S/C17H15F2NO2/c1-17(2,15(21)11-7-4-3-5-8-11)20-16(22)14-12(18)9-6-10-13(14)19/h3-10H,1-2H3,(H,20,22)
InChIKeyLPRGHJFYTAHKTO-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.36
Rot. Bonds4

About 2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide

2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide (PubChem CID 12010034) has the molecular formula C17H15F2NO2 and a molecular weight of 303.31 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide
PubChem CID12010034
Molecular FormulaC17H15F2NO2
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide
SMILESCC(C)(NC(=O)c1c(F)cccc1F)C(=O)c1ccccc1
InChIInChI=1S/C17H15F2NO2/c1-17(2,15(21)11-7-4-3-5-8-11)20-16(22)14-12(18)9-6-10-13(14)19/h3-10H,1-2H3,(H,20,22)
InChIKeyLPRGHJFYTAHKTO-UHFFFAOYSA-N
XLogP3.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide (CID 12010034) is 2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide is CC(C)(NC(=O)c1c(F)cccc1F)C(=O)c1ccccc1.
What is the InChIKey of 2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide?
The InChIKey is LPRGHJFYTAHKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO2/c1-17(2,15(21)11-7-4-3-5-8-11)20-16(22)14-12(18)9-6-10-13(14)19/h3-10H,1-2H3,(H,20,22).
What are the key properties of 2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide?
2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide has a molecular weight of 303.31 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-methyl-1-oxo-1-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 12010034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).