N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

C17H23F2N3O2 — CID 108522018

IUPACN'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2c(F)cccc2F)CC(C)(C)N1
InChIInChI=1S/C17H23F2N3O2/c1-16(2)8-10(9-17(3,4)22-16)20-14(23)15(24)21-13-11(18)6-5-7-12(13)19/h5-7,10,22H,8-9H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyPOCAGPDQENBRSH-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.33
Rot. Bonds2

About N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide

N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (PubChem CID 108522018) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.

Molecular Properties

Compound NameN'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
PubChem CID108522018
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC NameN'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide
SMILESCC1(C)CC(NC(=O)C(=O)Nc2c(F)cccc2F)CC(C)(C)N1
InChIInChI=1S/C17H23F2N3O2/c1-16(2)8-10(9-17(3,4)22-16)20-14(23)15(24)21-13-11(18)6-5-7-12(13)19/h5-7,10,22H,8-9H2,1-4H3,(H,20,23)(H,21,24)
InChIKeyPOCAGPDQENBRSH-UHFFFAOYSA-N
XLogP2.33
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The IUPAC name of N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide (CID 108522018) is N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide.
What is the SMILES notation for N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The canonical SMILES for N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is CC1(C)CC(NC(=O)C(=O)Nc2c(F)cccc2F)CC(C)(C)N1.
What is the InChIKey of N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
The InChIKey is POCAGPDQENBRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-16(2)8-10(9-17(3,4)22-16)20-14(23)15(24)21-13-11(18)6-5-7-12(13)19/h5-7,10,22H,8-9H2,1-4H3,(H,20,23)(H,21,24).
What are the key properties of N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide?
N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide has a molecular weight of 339.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-difluorophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)oxamide is sourced from PubChem (CID 108522018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).