2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2,4-dichlorophenyl)methyl]acetamide

C15H10Cl3F3N2O2 — CID 3346736

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3F3N2O2/c16-10-2-1-8(11(17)4-10)5-22-13(24)7-23-6-9(15(19,20)21)3-12(18)14(23)25/h1-4,6H,5,7H2,(H,22,24)
InChIKeyBONHEKWXLHDVPE-UHFFFAOYSA-N
MW413.61 g/mol
LogP4.14
Rot. Bonds4

About 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2,4-dichlorophenyl)methyl]acetamide

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2,4-dichlorophenyl)methyl]acetamide (PubChem CID 3346736) has the molecular formula C15H10Cl3F3N2O2 and a molecular weight of 413.61 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2,4-dichlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2,4-dichlorophenyl)methyl]acetamide
PubChem CID3346736
Molecular FormulaC15H10Cl3F3N2O2
Molecular Weight413.61 g/mol
Exact Mass411.98
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2,4-dichlorophenyl)methyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H10Cl3F3N2O2/c16-10-2-1-8(11(17)4-10)5-22-13(24)7-23-6-9(15(19,20)21)3-12(18)14(23)25/h1-4,6H,5,7H2,(H,22,24)
InChIKeyBONHEKWXLHDVPE-UHFFFAOYSA-N
XLogP4.14
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.61
LogP ≤ 54.14
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-[(2,4-dichlorophenyl)methyl]acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2,4-dichlorophenyl)methyl]acetamide (CID 3346736) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2,4-dichlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2,4-dichlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2,4-dichlorophenyl)methyl]acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2,4-dichlorophenyl)methyl]acetamide?
The InChIKey is BONHEKWXLHDVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3F3N2O2/c16-10-2-1-8(11(17)4-10)5-22-13(24)7-23-6-9(15(19,20)21)3-12(18)14(23)25/h1-4,6H,5,7H2,(H,22,24).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2,4-dichlorophenyl)methyl]acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2,4-dichlorophenyl)methyl]acetamide has a molecular weight of 413.61 g/mol, XLogP of 4.14, 4 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-[(2,4-dichlorophenyl)methyl]acetamide is sourced from PubChem (CID 3346736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).