2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride

C16H23ClF3N3O2 — CID 119682430

IUPAC2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C(C)CNC.Cl
InChIInChI=1S/C16H22F3N3O2.ClH/c1-4-7-22(16(24)10(2)8-20-3)9-13(23)21-12-6-5-11(17)14(18)15(12)19;/h5-6,10,20H,4,7-9H2,1-3H3,(H,21,23);1H
InChIKeyFWLQYBMCSYLGAA-UHFFFAOYSA-N
MW381.83 g/mol
LogP2.56
Rot. Bonds8

About 2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride

2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride (PubChem CID 119682430) has the molecular formula C16H23ClF3N3O2 and a molecular weight of 381.83 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride
PubChem CID119682430
Molecular FormulaC16H23ClF3N3O2
Molecular Weight381.83 g/mol
Exact Mass381.14
IUPAC Name2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C(C)CNC.Cl
InChIInChI=1S/C16H22F3N3O2.ClH/c1-4-7-22(16(24)10(2)8-20-3)9-13(23)21-12-6-5-11(17)14(18)15(12)19;/h5-6,10,20H,4,7-9H2,1-3H3,(H,21,23);1H
InChIKeyFWLQYBMCSYLGAA-UHFFFAOYSA-N
XLogP2.56
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773080
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyridine-4-carboxamide
CID 27773073
3,4-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 112790057
2-[(2-methylphenyl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566253
3-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylcyclohexane-1-carboxamide;hydrochloride
CID 119682416
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
CID 119682443
2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24677447
N-methyl-4-[(E)-3-oxo-3-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]prop-1-enyl]benzamide
CID 46558352
2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 55437591
3-acetamido-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773105
2-ethylsulfonyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 55382888
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2657242

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride (CID 119682430) is 2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C(C)CNC.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride?
The InChIKey is FWLQYBMCSYLGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O2.ClH/c1-4-7-22(16(24)10(2)8-20-3)9-13(23)21-12-6-5-11(17)14(18)15(12)19;/h5-6,10,20H,4,7-9H2,1-3H3,(H,21,23);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride has a molecular weight of 381.83 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpropanamide;hydrochloride is sourced from PubChem (CID 119682430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).