N-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide

C21H23F3N4O3 — CID 2698582

IUPACN-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H23F3N4O3/c1-3-10-28(12-19(31)27-17-9-8-16(22)20(23)21(17)24)11-18(30)26-15-6-4-14(5-7-15)25-13(2)29/h4-9H,3,10-12H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyPPRWMYOLUOFWOU-UHFFFAOYSA-N
MW436.43 g/mol
LogP3.35
Rot. Bonds9

About N-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide

N-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide (PubChem CID 2698582) has the molecular formula C21H23F3N4O3 and a molecular weight of 436.43 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
PubChem CID2698582
Molecular FormulaC21H23F3N4O3
Molecular Weight436.43 g/mol
Exact Mass436.17
IUPAC NameN-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C21H23F3N4O3/c1-3-10-28(12-19(31)27-17-9-8-16(22)20(23)21(17)24)11-18(30)26-15-6-4-14(5-7-15)25-13(2)29/h4-9H,3,10-12H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)
InChIKeyPPRWMYOLUOFWOU-UHFFFAOYSA-N
XLogP3.35
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide (CID 2698582) is N-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide is CCCN(CC(=O)Nc1ccc(NC(C)=O)cc1)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of N-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide?
The InChIKey is PPRWMYOLUOFWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O3/c1-3-10-28(12-19(31)27-17-9-8-16(22)20(23)21(17)24)11-18(30)26-15-6-4-14(5-7-15)25-13(2)29/h4-9H,3,10-12H2,1-2H3,(H,25,29)(H,26,30)(H,27,31).
What are the key properties of N-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide?
N-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide has a molecular weight of 436.43 g/mol, XLogP of 3.35, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide is sourced from PubChem (CID 2698582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).