N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide

C17H16ClF3N2O2 — CID 55304749

IUPACN-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C17H16ClF3N2O2/c1-2-22(9-12-6-4-3-5-7-12)15(24)11-23-10-13(17(19,20)21)8-14(18)16(23)25/h3-8,10H,2,9,11H2,1H3
InChIKeyVBQWTWCRZGAWSZ-UHFFFAOYSA-N
MW372.77 g/mol
LogP3.57
Rot. Bonds5

About N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide

N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide (PubChem CID 55304749) has the molecular formula C17H16ClF3N2O2 and a molecular weight of 372.77 g/mol. Its IUPAC name is N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide
PubChem CID55304749
Molecular FormulaC17H16ClF3N2O2
Molecular Weight372.77 g/mol
Exact Mass372.09
IUPAC NameN-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide
SMILESCCN(Cc1ccccc1)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O
InChIInChI=1S/C17H16ClF3N2O2/c1-2-22(9-12-6-4-3-5-7-12)15(24)11-23-10-13(17(19,20)21)8-14(18)16(23)25/h3-8,10H,2,9,11H2,1H3
InChIKeyVBQWTWCRZGAWSZ-UHFFFAOYSA-N
XLogP3.57
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.77
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(benzylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 5181987
ethyl 3-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]propanoate
CID 71606958
N-benzyl-2-(5-bromo-2-oxo-1-pyridinyl)-N-ethylacetamide
CID 112788534
2-(5-amino-2-oxo-1-pyridinyl)-N-benzyl-N-ethylacetamide
CID 62816164
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-methyl-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 126445754
N-benzyl-2-[4-(3,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]-N-ethylacetamide
CID 95917583
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 18118827
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-naphthalen-1-ylacetamide
CID 2097457
ethyl 2-[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]thiophene-3-carboxylate
CID 24566335
1-benzyl-3-methyl-5-(trifluoromethyl)pyridin-2-one
CID 90078397
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096913
N-benzyl-N-ethyl-2-[4-(5-fluoro-2-methylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 95917512

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide?
The IUPAC name of N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide (CID 55304749) is N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide.
What is the SMILES notation for N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide?
The canonical SMILES for N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide is CCN(Cc1ccccc1)C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O.
What is the InChIKey of N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide?
The InChIKey is VBQWTWCRZGAWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF3N2O2/c1-2-22(9-12-6-4-3-5-7-12)15(24)11-23-10-13(17(19,20)21)8-14(18)16(23)25/h3-8,10H,2,9,11H2,1H3.
What are the key properties of N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide?
N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide has a molecular weight of 372.77 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-ethylacetamide is sourced from PubChem (CID 55304749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).