N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide

C14H9Cl2F3N2O2 — CID 4594130

IUPACN-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)C(F)(F)F
InChIInChI=1S/C14H9Cl2F3N2O2/c15-9-3-1-4-10(16)8(9)7-21-6-2-5-11(12(21)22)20-13(23)14(17,18)19/h1-6H,7H2,(H,20,23)
InChIKeyJCAGMBQJGGIJOC-UHFFFAOYSA-N
MW365.14 g/mol
LogP3.70
Rot. Bonds3

About N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide

N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide (PubChem CID 4594130) has the molecular formula C14H9Cl2F3N2O2 and a molecular weight of 365.14 g/mol. Its IUPAC name is N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide
PubChem CID4594130
Molecular FormulaC14H9Cl2F3N2O2
Molecular Weight365.14 g/mol
Exact Mass364.00
IUPAC NameN-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)C(F)(F)F
InChIInChI=1S/C14H9Cl2F3N2O2/c15-9-3-1-4-10(16)8(9)7-21-6-2-5-11(12(21)22)20-13(23)14(17,18)19/h1-6H,7H2,(H,20,23)
InChIKeyJCAGMBQJGGIJOC-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide (CID 4594130) is N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide is O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)C(F)(F)F.
What is the InChIKey of N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide?
The InChIKey is JCAGMBQJGGIJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3N2O2/c15-9-3-1-4-10(16)8(9)7-21-6-2-5-11(12(21)22)20-13(23)14(17,18)19/h1-6H,7H2,(H,20,23).
What are the key properties of N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide?
N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide has a molecular weight of 365.14 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-dichlorophenyl)methyl]-2-oxo-3-pyridinyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 4594130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).