N-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide

C17H24F4N2O — CID 118730978

IUPACN-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C17H24F4N2O/c1-2-3-4-5-6-7-8-9-10-11-12(24)22-15-13(18)16(20)23-17(21)14(15)19/h2-11H2,1H3,(H,22,23,24)
InChIKeyUICFPPHFVMBUQL-UHFFFAOYSA-N
MW348.38 g/mol
LogP5.50
Rot. Bonds11

About N-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide

N-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide (PubChem CID 118730978) has the molecular formula C17H24F4N2O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide.

Molecular Properties

Compound NameN-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide
PubChem CID118730978
Molecular FormulaC17H24F4N2O
Molecular Weight348.38 g/mol
Exact Mass348.18
IUPAC NameN-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide
SMILESCCCCCCCCCCCC(=O)Nc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C17H24F4N2O/c1-2-3-4-5-6-7-8-9-10-11-12(24)22-15-13(18)16(20)23-17(21)14(15)19/h2-11H2,1H3,(H,22,23,24)
InChIKeyUICFPPHFVMBUQL-UHFFFAOYSA-N
XLogP5.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.38
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide?
The IUPAC name of N-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide (CID 118730978) is N-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide.
What is the SMILES notation for N-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide?
The canonical SMILES for N-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide is CCCCCCCCCCCC(=O)Nc1c(F)c(F)nc(F)c1F.
What is the InChIKey of N-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide?
The InChIKey is UICFPPHFVMBUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F4N2O/c1-2-3-4-5-6-7-8-9-10-11-12(24)22-15-13(18)16(20)23-17(21)14(15)19/h2-11H2,1H3,(H,22,23,24).
What are the key properties of N-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide?
N-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide has a molecular weight of 348.38 g/mol, XLogP of 5.50, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6-tetrafluoro-4-pyridinyl)dodecanamide is sourced from PubChem (CID 118730978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).