2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide

C15H8Cl5F3N2O2 — CID 3842201

IUPAC2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(Nc1cc(C(F)(F)F)cn(Cc2c(Cl)cccc2Cl)c1=O)C(Cl)(Cl)Cl
InChIInChI=1S/C15H8Cl5F3N2O2/c16-9-2-1-3-10(17)8(9)6-25-5-7(15(21,22)23)4-11(12(25)26)24-13(27)14(18,19)20/h1-5H,6H2,(H,24,27)
InChIKeyAYJKIXJPTFMJLQ-UHFFFAOYSA-N
MW482.50 g/mol
LogP5.53
Rot. Bonds3

About 2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide

2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 3842201) has the molecular formula C15H8Cl5F3N2O2 and a molecular weight of 482.50 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID3842201
Molecular FormulaC15H8Cl5F3N2O2
Molecular Weight482.50 g/mol
Exact Mass479.90
IUPAC Name2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(Nc1cc(C(F)(F)F)cn(Cc2c(Cl)cccc2Cl)c1=O)C(Cl)(Cl)Cl
InChIInChI=1S/C15H8Cl5F3N2O2/c16-9-2-1-3-10(17)8(9)6-25-5-7(15(21,22)23)4-11(12(25)26)24-13(27)14(18,19)20/h1-5H,6H2,(H,24,27)
InChIKeyAYJKIXJPTFMJLQ-UHFFFAOYSA-N
XLogP5.53
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.50
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 3842201) is 2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide is O=C(Nc1cc(C(F)(F)F)cn(Cc2c(Cl)cccc2Cl)c1=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is AYJKIXJPTFMJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl5F3N2O2/c16-9-2-1-3-10(17)8(9)6-25-5-7(15(21,22)23)4-11(12(25)26)24-13(27)14(18,19)20/h1-5H,6H2,(H,24,27).
What are the key properties of 2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide?
2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 482.50 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 3842201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).