N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide

C20H15ClF3N3O — CID 71238548

IUPACN-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NCc1ccc(C(F)(F)F)nc1-c1cccc(Cl)c1
InChIInChI=1S/C20H15ClF3N3O/c21-15-5-3-4-13(10-15)19-14(7-8-17(27-19)20(22,23)24)12-26-18(28)11-16-6-1-2-9-25-16/h1-10H,11-12H2,(H,26,28)
InChIKeyYONILSRRKOKGNG-UHFFFAOYSA-N
MW405.81 g/mol
LogP4.67
Rot. Bonds5

About N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide

N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide (PubChem CID 71238548) has the molecular formula C20H15ClF3N3O and a molecular weight of 405.81 g/mol. Its IUPAC name is N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide
PubChem CID71238548
Molecular FormulaC20H15ClF3N3O
Molecular Weight405.81 g/mol
Exact Mass405.09
IUPAC NameN-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide
SMILESO=C(Cc1ccccn1)NCc1ccc(C(F)(F)F)nc1-c1cccc(Cl)c1
InChIInChI=1S/C20H15ClF3N3O/c21-15-5-3-4-13(10-15)19-14(7-8-17(27-19)20(22,23)24)12-26-18(28)11-16-6-1-2-9-25-16/h1-10H,11-12H2,(H,26,28)
InChIKeyYONILSRRKOKGNG-UHFFFAOYSA-N
XLogP4.67
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.81
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide 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-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide?
The IUPAC name of N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide (CID 71238548) is N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide is O=C(Cc1ccccn1)NCc1ccc(C(F)(F)F)nc1-c1cccc(Cl)c1.
What is the InChIKey of N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide?
The InChIKey is YONILSRRKOKGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClF3N3O/c21-15-5-3-4-13(10-15)19-14(7-8-17(27-19)20(22,23)24)12-26-18(28)11-16-6-1-2-9-25-16/h1-10H,11-12H2,(H,26,28).
What are the key properties of N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide?
N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide has a molecular weight of 405.81 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chlorophenyl)-6-(trifluoromethyl)-3-pyridinyl]methyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 71238548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).