N-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

C12H15F3N2O2 — CID 47021486

IUPACN-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCC(C)NC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C12H15F3N2O2/c1-3-8(2)16-10(18)7-17-6-4-5-9(11(17)19)12(13,14)15/h4-6,8H,3,7H2,1-2H3,(H,16,18)
InChIKeyKRZGHZMTHVNKDX-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.78
Rot. Bonds4

About N-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide

N-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 47021486) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID47021486
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCCC(C)NC(=O)Cn1cccc(C(F)(F)F)c1=O
InChIInChI=1S/C12H15F3N2O2/c1-3-8(2)16-10(18)7-17-6-4-5-9(11(17)19)12(13,14)15/h4-6,8H,3,7H2,1-2H3,(H,16,18)
InChIKeyKRZGHZMTHVNKDX-UHFFFAOYSA-N
XLogP1.78
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide (CID 47021486) is N-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is CCC(C)NC(=O)Cn1cccc(C(F)(F)F)c1=O.
What is the InChIKey of N-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is KRZGHZMTHVNKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-3-8(2)16-10(18)7-17-6-4-5-9(11(17)19)12(13,14)15/h4-6,8H,3,7H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide?
N-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 276.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 47021486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).