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

C16H12Cl3F3N2O2 — CID 2490398

IUPAC2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3F3N2O2/c17-11-2-1-9(12(18)6-11)3-4-23-14(25)8-24-7-10(16(20,21)22)5-13(19)15(24)26/h1-2,5-7H,3-4,8H2,(H,23,25)
InChIKeyNSKUDDAUBAQEAA-UHFFFAOYSA-N
MW427.64 g/mol
LogP4.19
Rot. Bonds5

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

2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide (PubChem CID 2490398) has the molecular formula C16H12Cl3F3N2O2 and a molecular weight of 427.64 g/mol. Its IUPAC name is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
PubChem CID2490398
Molecular FormulaC16H12Cl3F3N2O2
Molecular Weight427.64 g/mol
Exact Mass425.99
IUPAC Name2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H12Cl3F3N2O2/c17-11-2-1-9(12(18)6-11)3-4-23-14(25)8-24-7-10(16(20,21)22)5-13(19)15(24)26/h1-2,5-7H,3-4,8H2,(H,23,25)
InChIKeyNSKUDDAUBAQEAA-UHFFFAOYSA-N
XLogP4.19
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.64
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

1-((2,4-Dichlorophenyl)methyl)-N-ethyl-1,6-dihydro-6-oxo-3-pyridinecarboxamide
CID 2764863
4-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]piperazin-2-one
CID 2469898
N-[1-(2,6-dichlorobenzyl)-2-oxo-1,2-dihydro-3-pyridinyl]acetamide
CID 3828707
N-(2,4-Dichloro-benzyl)-6-hydroxy-nicotinamide
CID 7545432
[(1R)-2-(2,4-dichlorophenyl)-1-[[2-[prop-2-enoyl(2,2,2-trifluoroethyl)amino]acetyl]amino]ethyl]boronic acid
CID 140880288
N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2103749
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide
CID 2425411
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 3346736
N-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62491259
[(1R)-2-(2,4-dichlorophenyl)-1-[[2-[ethyl(prop-2-enoyl)amino]acetyl]amino]ethyl]boronic acid
CID 140880256
[(1R)-2-(2,4-dichlorophenyl)-1-[[2-[methyl(prop-2-enoyl)amino]acetyl]amino]ethyl]boronic acid
CID 140880283
N-[2-(2,4-dichlorophenyl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 2539450

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The IUPAC name of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide (CID 2490398) is 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide is O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
The InChIKey is NSKUDDAUBAQEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl3F3N2O2/c17-11-2-1-9(12(18)6-11)3-4-23-14(25)8-24-7-10(16(20,21)22)5-13(19)15(24)26/h1-2,5-7H,3-4,8H2,(H,23,25).
What are the key properties of 2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide?
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide has a molecular weight of 427.64 g/mol, XLogP of 4.19, 5 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-(2,4-dichlorophenyl)ethyl]acetamide is sourced from PubChem (CID 2490398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).