2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-3-methylbutan-2-yl]acetamide

C13H16ClF3N2O2 — CID 7183476

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@H](C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C13H16ClF3N2O2/c1-7(2)8(3)18-11(20)6-19-5-9(13(15,16)17)4-10(14)12(19)21/h4-5,7-8H,6H2,1-3H3,(H,18,20)/t8-/m0/s1
InChIKeyISBORZVZFJAFRY-QMMMGPOBSA-N
MW324.73 g/mol
LogP2.68
Rot. Bonds4

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-3-methylbutan-2-yl]acetamide (PubChem CID 7183476) has the molecular formula C13H16ClF3N2O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
PubChem CID7183476
Molecular FormulaC13H16ClF3N2O2
Molecular Weight324.73 g/mol
Exact Mass324.09
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@H](C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C13H16ClF3N2O2/c1-7(2)8(3)18-11(20)6-19-5-9(13(15,16)17)4-10(14)12(19)21/h4-5,7-8H,6H2,1-3H3,(H,18,20)/t8-/m0/s1
InChIKeyISBORZVZFJAFRY-QMMMGPOBSA-N
XLogP2.68
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 52.68
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-[(2S)-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-3-methylbutan-2-yl]acetamide (CID 7183476) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-3-methylbutan-2-yl]acetamide is CC(C)[C@H](C)NC(=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-[(2S)-3-methylbutan-2-yl]acetamide?
The InChIKey is ISBORZVZFJAFRY-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16ClF3N2O2/c1-7(2)8(3)18-11(20)6-19-5-9(13(15,16)17)4-10(14)12(19)21/h4-5,7-8H,6H2,1-3H3,(H,18,20)/t8-/m0/s1.
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-3-methylbutan-2-yl]acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2S)-3-methylbutan-2-yl]acetamide has a molecular weight of 324.73 g/mol, XLogP of 2.68, 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-[(2S)-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 7183476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).