N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C15H9Cl2F3N2O4 — CID 24566343

IUPACN-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C15H9Cl2F3N2O4/c16-8-2-11-12(26-6-25-11)3-10(8)21-13(23)5-22-4-7(15(18,19)20)1-9(17)14(22)24/h1-4H,5-6H2,(H,21,23)
InChIKeyMALYXRMKBOAVGY-UHFFFAOYSA-N
MW409.15 g/mol
LogP3.54
Rot. Bonds3

About N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 24566343) has the molecular formula C15H9Cl2F3N2O4 and a molecular weight of 409.15 g/mol. Its IUPAC name is N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID24566343
Molecular FormulaC15H9Cl2F3N2O4
Molecular Weight409.15 g/mol
Exact Mass407.99
IUPAC NameN-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cc2c(cc1Cl)OCO2
InChIInChI=1S/C15H9Cl2F3N2O4/c16-8-2-11-12(26-6-25-11)3-10(8)21-13(23)5-22-4-7(15(18,19)20)1-9(17)14(22)24/h1-4H,5-6H2,(H,21,23)
InChIKeyMALYXRMKBOAVGY-UHFFFAOYSA-N
XLogP3.54
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.15
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide with MolForge

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Related Compounds

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437
N-(4-bromo-2-chlorophenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 24566337
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2445579
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-iodophenyl)acetamide
CID 16574639
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-naphthalen-1-ylacetamide
CID 2097457
N-(4-tert-butylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7183544
N-tert-butyl-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2587466
N-(5-chloro-2-methoxyphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2555513
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide
CID 2100498
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 2096913
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]acetamide
CID 24581555
N-(4-acetylphenyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 3966797

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 24566343) is N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cc2c(cc1Cl)OCO2.
What is the InChIKey of N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is MALYXRMKBOAVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2F3N2O4/c16-8-2-11-12(26-6-25-11)3-10(8)21-13(23)5-22-4-7(15(18,19)20)1-9(17)14(22)24/h1-4H,5-6H2,(H,21,23).
What are the key properties of N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 409.15 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1,3-benzodioxol-5-yl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 24566343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).