5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide

C15H10ClF3N2O3 — CID 7893862

IUPAC5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H10ClF3N2O3/c16-7-1-4-11(8(5-7)15(20)23)24-6-12(22)21-10-3-2-9(17)13(18)14(10)19/h1-5H,6H2,(H2,20,23)(H,21,22)
InChIKeyGSSOGRMFLOMUQA-UHFFFAOYSA-N
MW358.70 g/mol
LogP2.87
Rot. Bonds5

About 5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide

5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide (PubChem CID 7893862) has the molecular formula C15H10ClF3N2O3 and a molecular weight of 358.70 g/mol. Its IUPAC name is 5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide.

Molecular Properties

Compound Name5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide
PubChem CID7893862
Molecular FormulaC15H10ClF3N2O3
Molecular Weight358.70 g/mol
Exact Mass358.03
IUPAC Name5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide
SMILESNC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C15H10ClF3N2O3/c16-7-1-4-11(8(5-7)15(20)23)24-6-12(22)21-10-3-2-9(17)13(18)14(10)19/h1-5H,6H2,(H2,20,23)(H,21,22)
InChIKeyGSSOGRMFLOMUQA-UHFFFAOYSA-N
XLogP2.87
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.70
LogP ≤ 52.87
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

5-chloro-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 122187999
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2433678
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2527865
2-(3-chlorophenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 2633081
5-chloro-2-[2-(4-cyanoanilino)-2-oxoethoxy]benzamide
CID 7893868
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 3,4-dimethoxybenzoate
CID 2349931
2-(4-chloro-2-morpholin-4-ylsulfonylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 30147469
2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 26217578
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332
2-(5-chloroquinolin-8-yl)oxy-N-(2,3,4-trifluorophenyl)acetamide
CID 8716409
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582401
N-(4-chloro-2-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 7961385

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide?
The IUPAC name of 5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide (CID 7893862) is 5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide.
What is the SMILES notation for 5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide?
The canonical SMILES for 5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide is NC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide?
The InChIKey is GSSOGRMFLOMUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O3/c16-7-1-4-11(8(5-7)15(20)23)24-6-12(22)21-10-3-2-9(17)13(18)14(10)19/h1-5H,6H2,(H2,20,23)(H,21,22).
What are the key properties of 5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide?
5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide has a molecular weight of 358.70 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[2-oxo-2-(2,3,4-trifluoroanilino)ethoxy]benzamide is sourced from PubChem (CID 7893862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).