N-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C16H23F3N2O2 — CID 47009846

IUPACN-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCCCCCC(C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C16H23F3N2O2/c1-3-4-5-6-7-12(2)20-14(22)11-21-10-13(16(17,18)19)8-9-15(21)23/h8-10,12H,3-7,11H2,1-2H3,(H,20,22)
InChIKeyWILPIMRAFXFVBX-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.34
Rot. Bonds8

About N-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 47009846) has the molecular formula C16H23F3N2O2 and a molecular weight of 332.37 g/mol. Its IUPAC name is N-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID47009846
Molecular FormulaC16H23F3N2O2
Molecular Weight332.37 g/mol
Exact Mass332.17
IUPAC NameN-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCCCCCC(C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
InChIInChI=1S/C16H23F3N2O2/c1-3-4-5-6-7-12(2)20-14(22)11-21-10-13(16(17,18)19)8-9-15(21)23/h8-10,12H,3-7,11H2,1-2H3,(H,20,22)
InChIKeyWILPIMRAFXFVBX-UHFFFAOYSA-N
XLogP3.34
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 47009846) is N-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CCCCCCC(C)NC(=O)Cn1cc(C(F)(F)F)ccc1=O.
What is the InChIKey of N-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is WILPIMRAFXFVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2/c1-3-4-5-6-7-12(2)20-14(22)11-21-10-13(16(17,18)19)8-9-15(21)23/h8-10,12H,3-7,11H2,1-2H3,(H,20,22).
What are the key properties of N-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 332.37 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 47009846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).