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

C16H13Cl2F3N2O2 — CID 2103749

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2F3N2O2/c17-12-3-1-10(13(18)7-12)5-6-22-14(24)9-23-8-11(16(19,20)21)2-4-15(23)25/h1-4,7-8H,5-6,9H2,(H,22,24)
InChIKeyJMGOTOHYHIWQAL-UHFFFAOYSA-N
MW393.19 g/mol
LogP3.53
Rot. Bonds5

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

N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 2103749) has the molecular formula C16H13Cl2F3N2O2 and a molecular weight of 393.19 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID2103749
Molecular FormulaC16H13Cl2F3N2O2
Molecular Weight393.19 g/mol
Exact Mass392.03
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H13Cl2F3N2O2/c17-12-3-1-10(13(18)7-12)5-6-22-14(24)9-23-8-11(16(19,20)21)2-4-15(23)25/h1-4,7-8H,5-6,9H2,(H,22,24)
InChIKeyJMGOTOHYHIWQAL-UHFFFAOYSA-N
XLogP3.53
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.19
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
3-(2,6-dichlorophenyl)-N-(2-phenylethyl)acrylamide
CID 732568
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
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-(2,4-dichlorophenyl)ethyl]acetamide
CID 2490398
5-[2-(2,4-Dichloro-phenyl)-ethylamino]-1-(3-methyl-but-2-enyl)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 10092673
[[N-(2,4-dichlorophenethyl)-N-(6-aminohexyl)]glycyl]-N-(2,4-dichlorophenethyl)glycinamide
CID 23730145
N-[2-(4-chlorophenyl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 2496968
[(1R)-2-(2,4-dichlorophenyl)-1-[[2-[prop-2-enoyl(2,2,2-trifluoroethyl)amino]acetyl]amino]ethyl]boronic acid
CID 140880288
N-(2,4-dichlorobenzyl)-2-oxo-2-(1-piperidinyl)acetamide
CID 2194492
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylethyl)acetamide
CID 2425411

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 2103749) is N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is JMGOTOHYHIWQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N2O2/c17-12-3-1-10(13(18)7-12)5-6-22-14(24)9-23-8-11(16(19,20)21)2-4-15(23)25/h1-4,7-8H,5-6,9H2,(H,22,24).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 393.19 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 2103749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).