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

C12H14ClF3N2O2 — CID 2587470

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C12H14ClF3N2O2/c1-7(2)4-17-10(19)6-18-5-8(12(14,15)16)3-9(13)11(18)20/h3,5,7H,4,6H2,1-2H3,(H,17,19)
InChIKeyVOVBTQTVKISQHU-UHFFFAOYSA-N
MW310.70 g/mol
LogP2.29
Rot. Bonds4

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide (PubChem CID 2587470) has the molecular formula C12H14ClF3N2O2 and a molecular weight of 310.70 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide
PubChem CID2587470
Molecular FormulaC12H14ClF3N2O2
Molecular Weight310.70 g/mol
Exact Mass310.07
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C12H14ClF3N2O2/c1-7(2)4-17-10(19)6-18-5-8(12(14,15)16)3-9(13)11(18)20/h3,5,7H,4,6H2,1-2H3,(H,17,19)
InChIKeyVOVBTQTVKISQHU-UHFFFAOYSA-N
XLogP2.29
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide (CID 2587470) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide?
The InChIKey is VOVBTQTVKISQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2/c1-7(2)4-17-10(19)6-18-5-8(12(14,15)16)3-9(13)11(18)20/h3,5,7H,4,6H2,1-2H3,(H,17,19).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide has a molecular weight of 310.70 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 2587470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).