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

C12H14ClF3N2O2 — CID 2587464

IUPACN-[(2S)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C12H14ClF3N2O2/c1-3-7(2)17-10(19)6-18-5-8(12(14,15)16)4-9(13)11(18)20/h4-5,7H,3,6H2,1-2H3,(H,17,19)/t7-/m0/s1
InChIKeyKEEDQINHUKLLRH-ZETCQYMHSA-N
MW310.70 g/mol
LogP2.44
Rot. Bonds4

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

N-[(2S)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2587464) has the molecular formula C12H14ClF3N2O2 and a molecular weight of 310.70 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2587464
Molecular FormulaC12H14ClF3N2O2
Molecular Weight310.70 g/mol
Exact Mass310.07
IUPAC NameN-[(2S)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESCC[C@H](C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C12H14ClF3N2O2/c1-3-7(2)17-10(19)6-18-5-8(12(14,15)16)4-9(13)11(18)20/h4-5,7H,3,6H2,1-2H3,(H,17,19)/t7-/m0/s1
InChIKeyKEEDQINHUKLLRH-ZETCQYMHSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide
CID 2587467
N-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-3-yl)acetamide
CID 47137243
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-cyclopropylacetamide
CID 2587509
N-butyl-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 4826239
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-propan-2-ylacetamide
CID 7633456
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8894228
2-[acetyl(methyl)amino]-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]acetamide
CID 47249058
N-methyl-6-oxo-N-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-1,6-dihydropyridine-3-carboxamide
CID 49669728
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2497335
N-cyclopropyl-2-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetamide
CID 2623809
N-(tert-butylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 3304469
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-methylbutyl)acetamide
CID 8894328

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2587464) is N-[(2S)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is CC[C@H](C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of N-[(2S)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is KEEDQINHUKLLRH-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14ClF3N2O2/c1-3-7(2)17-10(19)6-18-5-8(12(14,15)16)4-9(13)11(18)20/h4-5,7H,3,6H2,1-2H3,(H,17,19)/t7-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[(2S)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 310.70 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2587464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).