N-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane

C16H19F3N2O2 — CID 176553610

IUPACN-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane
SMILESCC.O=C(Cn1cc(C(F)(F)F)ccc1=O)NC1=CCCC=C1
InChIInChI=1S/C14H13F3N2O2.C2H6/c15-14(16,17)10-6-7-13(21)19(8-10)9-12(20)18-11-4-2-1-3-5-11;1-2/h2,4-8H,1,3,9H2,(H,18,20);1-2H3
InChIKeyIOOHWFKLRVYSIJ-UHFFFAOYSA-N
MW328.33 g/mol
LogP3.24
Rot. Bonds3

About N-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane

N-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane (PubChem CID 176553610) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane
PubChem CID176553610
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane
SMILESCC.O=C(Cn1cc(C(F)(F)F)ccc1=O)NC1=CCCC=C1
InChIInChI=1S/C14H13F3N2O2.C2H6/c15-14(16,17)10-6-7-13(21)19(8-10)9-12(20)18-11-4-2-1-3-5-11;1-2/h2,4-8H,1,3,9H2,(H,18,20);1-2H3
InChIKeyIOOHWFKLRVYSIJ-UHFFFAOYSA-N
XLogP3.24
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane?
The IUPAC name of N-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane (CID 176553610) is N-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane?
The canonical SMILES for N-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane is CC.O=C(Cn1cc(C(F)(F)F)ccc1=O)NC1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane?
The InChIKey is IOOHWFKLRVYSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2.C2H6/c15-14(16,17)10-6-7-13(21)19(8-10)9-12(20)18-11-4-2-1-3-5-11;1-2/h2,4-8H,1,3,9H2,(H,18,20);1-2H3.
What are the key properties of N-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane?
N-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane has a molecular weight of 328.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-yl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide;ethane is sourced from PubChem (CID 176553610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).