N-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

C13H13F3N2O3 — CID 2902294

IUPACN-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESC=COCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O3/c1-2-21-7-6-17-11(19)12(20)18-10-5-3-4-9(8-10)13(14,15)16/h2-5,8H,1,6-7H2,(H,17,19)(H,18,20)
InChIKeyAOYHDVMSLONEGB-UHFFFAOYSA-N
MW302.25 g/mol
LogP1.92
Rot. Bonds5

About N-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide

N-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (PubChem CID 2902294) has the molecular formula C13H13F3N2O3 and a molecular weight of 302.25 g/mol. Its IUPAC name is N-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.

Molecular Properties

Compound NameN-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
PubChem CID2902294
Molecular FormulaC13H13F3N2O3
Molecular Weight302.25 g/mol
Exact Mass302.09
IUPAC NameN-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
SMILESC=COCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H13F3N2O3/c1-2-21-7-6-17-11(19)12(20)18-10-5-3-4-9(8-10)13(14,15)16/h2-5,8H,1,6-7H2,(H,17,19)(H,18,20)
InChIKeyAOYHDVMSLONEGB-UHFFFAOYSA-N
XLogP1.92
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The IUPAC name of N-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide (CID 2902294) is N-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide.
What is the SMILES notation for N-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The canonical SMILES for N-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is C=COCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
The InChIKey is AOYHDVMSLONEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O3/c1-2-21-7-6-17-11(19)12(20)18-10-5-3-4-9(8-10)13(14,15)16/h2-5,8H,1,6-7H2,(H,17,19)(H,18,20).
What are the key properties of N-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide?
N-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide has a molecular weight of 302.25 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenoxyethyl)-N'-[3-(trifluoromethyl)phenyl]oxamide is sourced from PubChem (CID 2902294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).