N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide

C16H13F3N2O3 — CID 108514530

IUPACN-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H13F3N2O3/c1-2-24-10-5-3-9(4-6-10)20-15(22)16(23)21-12-8-7-11(17)13(18)14(12)19/h3-8H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeySMORADAFKUBFOM-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.08
Rot. Bonds4

About N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide

N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide (PubChem CID 108514530) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
PubChem CID108514530
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC NameN-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C16H13F3N2O3/c1-2-24-10-5-3-9(4-6-10)20-15(22)16(23)21-12-8-7-11(17)13(18)14(12)19/h3-8H,2H2,1H3,(H,20,22)(H,21,23)
InChIKeySMORADAFKUBFOM-UHFFFAOYSA-N
XLogP3.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methylphenyl)-N-(4-ethoxyphenyl)oxamide
CID 45000868
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(4-ethoxyphenyl)-6-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109359088
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
ethyl 2-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]benzoate
CID 108501758
N-(4-ethoxyphenyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500462
2-(4-ethylphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 9095297
N'-(4-ethoxyphenyl)-N-[(2-fluorophenyl)methyl]oxamide
CID 2989314
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
N'-tert-butyl-N-(2,3,4-trifluorophenyl)oxamide
CID 108506939

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide (CID 108514530) is N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide is CCOc1ccc(NC(=O)C(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
The InChIKey is SMORADAFKUBFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c1-2-24-10-5-3-9(4-6-10)20-15(22)16(23)21-12-8-7-11(17)13(18)14(12)19/h3-8H,2H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide?
N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide has a molecular weight of 338.29 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-(2,3,4-trifluorophenyl)oxamide is sourced from PubChem (CID 108514530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).