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

C14H8Cl3F3N2O2 — CID 2419542

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H8Cl3F3N2O2/c15-8-2-9(16)4-10(3-8)21-12(23)6-22-5-7(14(18,19)20)1-11(17)13(22)24/h1-5H,6H2,(H,21,23)
InChIKeyNOJQBVYZCDKWPH-UHFFFAOYSA-N
MW399.58 g/mol
LogP4.47
Rot. Bonds3

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3,5-dichlorophenyl)acetamide (PubChem CID 2419542) has the molecular formula C14H8Cl3F3N2O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3,5-dichlorophenyl)acetamide
PubChem CID2419542
Molecular FormulaC14H8Cl3F3N2O2
Molecular Weight399.58 g/mol
Exact Mass397.96
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3,5-dichlorophenyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H8Cl3F3N2O2/c15-8-2-9(16)4-10(3-8)21-12(23)6-22-5-7(14(18,19)20)1-11(17)13(22)24/h1-5H,6H2,(H,21,23)
InChIKeyNOJQBVYZCDKWPH-UHFFFAOYSA-N
XLogP4.47
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 54.47
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-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3,5-dichlorophenyl)acetamide (CID 2419542) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3,5-dichlorophenyl)acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is NOJQBVYZCDKWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3F3N2O2/c15-8-2-9(16)4-10(3-8)21-12(23)6-22-5-7(14(18,19)20)1-11(17)13(22)24/h1-5H,6H2,(H,21,23).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3,5-dichlorophenyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 399.58 g/mol, XLogP of 4.47, 3 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-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 2419542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).