2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide

C19H17ClF4N2O2 — CID 24677447

IUPAC2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C19H17ClF4N2O2/c1-2-8-26(17(28)9-11-12(20)4-3-5-13(11)21)10-16(27)25-15-7-6-14(22)18(23)19(15)24/h3-7H,2,8-10H2,1H3,(H,25,27)
InChIKeyQNYPTKYVIMIIHI-UHFFFAOYSA-N
MW416.80 g/mol
LogP4.32
Rot. Bonds7

About 2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide

2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide (PubChem CID 24677447) has the molecular formula C19H17ClF4N2O2 and a molecular weight of 416.80 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
PubChem CID24677447
Molecular FormulaC19H17ClF4N2O2
Molecular Weight416.80 g/mol
Exact Mass416.09
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C19H17ClF4N2O2/c1-2-8-26(17(28)9-11-12(20)4-3-5-13(11)21)10-16(27)25-15-7-6-14(22)18(23)19(15)24/h3-7H,2,8-10H2,1H3,(H,25,27)
InChIKeyQNYPTKYVIMIIHI-UHFFFAOYSA-N
XLogP4.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.80
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide 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

2-(2-chloroanilino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 55437591
2-(2,4-dichloro-6-methyl-3-pyridinyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 24509284
2-[[2-(2-propoxyphenoxy)acetyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 29403471
3-acetamido-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 27773105
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
2-[(2-methylphenyl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566253
N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylpyrrolidine-3-carboxamide
CID 119682443
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide
CID 46554976
cis-(1R,3S)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 51958265
3-chloro-4,5-dimethoxy-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 26730465
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970591

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide (CID 24677447) is 2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
The InChIKey is QNYPTKYVIMIIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF4N2O2/c1-2-8-26(17(28)9-11-12(20)4-3-5-13(11)21)10-16(27)25-15-7-6-14(22)18(23)19(15)24/h3-7H,2,8-10H2,1H3,(H,25,27).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide?
2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide has a molecular weight of 416.80 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylacetamide is sourced from PubChem (CID 24677447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).