N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide

C19H19F4N3O2 — CID 2548450

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide
SMILESCN(CC(=O)NCCc1ccc(F)cc1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H19F4N3O2/c1-26(10-16(27)24-9-8-12-2-4-13(20)5-3-12)11-17(28)25-15-7-6-14(21)18(22)19(15)23/h2-7H,8-11H2,1H3,(H,24,27)(H,25,28)
InChIKeyYLKNQGGBDGCOST-UHFFFAOYSA-N
MW397.37 g/mol
LogP2.47
Rot. Bonds8

About N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide (PubChem CID 2548450) has the molecular formula C19H19F4N3O2 and a molecular weight of 397.37 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide
PubChem CID2548450
Molecular FormulaC19H19F4N3O2
Molecular Weight397.37 g/mol
Exact Mass397.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide
SMILESCN(CC(=O)NCCc1ccc(F)cc1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C19H19F4N3O2/c1-26(10-16(27)24-9-8-12-2-4-13(20)5-3-12)11-17(28)25-15-7-6-14(21)18(22)19(15)23/h2-7H,8-11H2,1H3,(H,24,27)(H,25,28)
InChIKeyYLKNQGGBDGCOST-UHFFFAOYSA-N
XLogP2.47
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide (CID 2548450) is N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide is CN(CC(=O)NCCc1ccc(F)cc1)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide?
The InChIKey is YLKNQGGBDGCOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F4N3O2/c1-26(10-16(27)24-9-8-12-2-4-13(20)5-3-12)11-17(28)25-15-7-6-14(21)18(22)19(15)23/h2-7H,8-11H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide has a molecular weight of 397.37 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]acetamide is sourced from PubChem (CID 2548450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).