2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide

C19H18Cl2F3N3O2 — CID 24509284

IUPAC2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1c(Cl)cc(C)nc1Cl
InChIInChI=1S/C19H18Cl2F3N3O2/c1-3-6-27(16(29)8-11-12(20)7-10(2)25-19(11)21)9-15(28)26-14-5-4-13(22)17(23)18(14)24/h4-5,7H,3,6,8-9H2,1-2H3,(H,26,28)
InChIKeyLARITTKCZMPOKX-UHFFFAOYSA-N
MW448.27 g/mol
LogP4.53
Rot. Bonds7

About 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide

2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide (PubChem CID 24509284) has the molecular formula C19H18Cl2F3N3O2 and a molecular weight of 448.27 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
PubChem CID24509284
Molecular FormulaC19H18Cl2F3N3O2
Molecular Weight448.27 g/mol
Exact Mass447.07
IUPAC Name2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1c(Cl)cc(C)nc1Cl
InChIInChI=1S/C19H18Cl2F3N3O2/c1-3-6-27(16(29)8-11-12(20)7-10(2)25-19(11)21)9-15(28)26-14-5-4-13(22)17(23)18(14)24/h4-5,7H,3,6,8-9H2,1-2H3,(H,26,28)
InChIKeyLARITTKCZMPOKX-UHFFFAOYSA-N
XLogP4.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.27
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24677447
2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 55437591
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221850
N-(2,4-dichlorophenyl)-2-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-propylamino]acetamide
CID 55369827
3,4-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 112790057
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2657242
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24627445
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
CID 119682443
2-[(2-chloro-4-methylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 32675529
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 26730465
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 46554976

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
The IUPAC name of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide (CID 24509284) is 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide.
What is the SMILES notation for 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
The canonical SMILES for 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1c(Cl)cc(C)nc1Cl.
What is the InChIKey of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
The InChIKey is LARITTKCZMPOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2F3N3O2/c1-3-6-27(16(29)8-11-12(20)7-10(2)25-19(11)21)9-15(28)26-14-5-4-13(22)17(23)18(14)24/h4-5,7H,3,6,8-9H2,1-2H3,(H,26,28).
What are the key properties of 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide has a molecular weight of 448.27 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide is sourced from PubChem (CID 24509284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).