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

C14H9Cl2F3N2O2 — CID 2098994

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-chlorophenyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H9Cl2F3N2O2/c15-9-2-1-3-10(5-9)20-12(22)7-21-6-8(14(17,18)19)4-11(16)13(21)23/h1-6H,7H2,(H,20,22)
InChIKeyLKOWSVVTHQWEMB-UHFFFAOYSA-N
MW365.14 g/mol
LogP3.81
Rot. Bonds3

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-chlorophenyl)acetamide (PubChem CID 2098994) has the molecular formula C14H9Cl2F3N2O2 and a molecular weight of 365.14 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-chlorophenyl)acetamide
PubChem CID2098994
Molecular FormulaC14H9Cl2F3N2O2
Molecular Weight365.14 g/mol
Exact Mass364.00
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-chlorophenyl)acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H9Cl2F3N2O2/c15-9-2-1-3-10(5-9)20-12(22)7-21-6-8(14(17,18)19)4-11(16)13(21)23/h1-6H,7H2,(H,20,22)
InChIKeyLKOWSVVTHQWEMB-UHFFFAOYSA-N
XLogP3.81
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.14
LogP ≤ 53.81
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-chlorophenyl)acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-chlorophenyl)acetamide (CID 2098994) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-chlorophenyl)acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-chlorophenyl)acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-chlorophenyl)acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1cccc(Cl)c1.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-chlorophenyl)acetamide?
The InChIKey is LKOWSVVTHQWEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N2O2/c15-9-2-1-3-10(5-9)20-12(22)7-21-6-8(14(17,18)19)4-11(16)13(21)23/h1-6H,7H2,(H,20,22).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-chlorophenyl)acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(3-chlorophenyl)acetamide has a molecular weight of 365.14 g/mol, XLogP of 3.81, 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-chlorophenyl)acetamide is sourced from PubChem (CID 2098994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).