2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C16H23FN2O — CID 744755

IUPAC2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccccc2F)CC(C)(C)N1
InChIInChI=1S/C16H23FN2O/c1-15(2)9-11(10-16(3,4)19-15)18-14(20)12-7-5-6-8-13(12)17/h5-8,11,19H,9-10H2,1-4H3,(H,18,20)
InChIKeyZMNVZYAYTFEADP-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.86
Rot. Bonds2

About 2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 744755) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID744755
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccccc2F)CC(C)(C)N1
InChIInChI=1S/C16H23FN2O/c1-15(2)9-11(10-16(3,4)19-15)18-14(20)12-7-5-6-8-13(12)17/h5-8,11,19H,9-10H2,1-4H3,(H,18,20)
InChIKeyZMNVZYAYTFEADP-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 744755) is 2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccccc2F)CC(C)(C)N1.
What is the InChIKey of 2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is ZMNVZYAYTFEADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-15(2)9-11(10-16(3,4)19-15)18-14(20)12-7-5-6-8-13(12)17/h5-8,11,19H,9-10H2,1-4H3,(H,18,20).
What are the key properties of 2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 278.37 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 744755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).