N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C12H14ClF3N2O2 — CID 2587466

IUPACN-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)(C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C12H14ClF3N2O2/c1-11(2,3)17-9(19)6-18-5-7(12(14,15)16)4-8(13)10(18)20/h4-5H,6H2,1-3H3,(H,17,19)
InChIKeyIJGAWZFOYHTOFO-UHFFFAOYSA-N
MW310.70 g/mol
LogP2.44
Rot. Bonds2

About N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2587466) has the molecular formula C12H14ClF3N2O2 and a molecular weight of 310.70 g/mol. Its IUPAC name is N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2587466
Molecular FormulaC12H14ClF3N2O2
Molecular Weight310.70 g/mol
Exact Mass310.07
IUPAC NameN-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC(C)(C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C12H14ClF3N2O2/c1-11(2,3)17-9(19)6-18-5-7(12(14,15)16)4-8(13)10(18)20/h4-5H,6H2,1-3H3,(H,17,19)
InChIKeyIJGAWZFOYHTOFO-UHFFFAOYSA-N
XLogP2.44
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2587466) is N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC(C)(C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is IJGAWZFOYHTOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2/c1-11(2,3)17-9(19)6-18-5-7(12(14,15)16)4-8(13)10(18)20/h4-5H,6H2,1-3H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 310.70 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2587466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).