N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide

C12H13F3N2O3 — CID 56765496

IUPACN'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O3/c1-16-10(19)11(20)17-6-9(18)7-2-4-8(5-3-7)12(13,14)15/h2-5,9,18H,6H2,1H3,(H,16,19)(H,17,20)
InChIKeyKNJVPRJJSNCIQH-UHFFFAOYSA-N
MW290.24 g/mol
LogP0.60
Rot. Bonds3

About N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide

N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide (PubChem CID 56765496) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide
PubChem CID56765496
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC NameN'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide
SMILESCNC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H13F3N2O3/c1-16-10(19)11(20)17-6-9(18)7-2-4-8(5-3-7)12(13,14)15/h2-5,9,18H,6H2,1H3,(H,16,19)(H,17,20)
InChIKeyKNJVPRJJSNCIQH-UHFFFAOYSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide?
The IUPAC name of N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide (CID 56765496) is N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide.
What is the SMILES notation for N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide?
The canonical SMILES for N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide is CNC(=O)C(=O)NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide?
The InChIKey is KNJVPRJJSNCIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-16-10(19)11(20)17-6-9(18)7-2-4-8(5-3-7)12(13,14)15/h2-5,9,18H,6H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide?
N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide has a molecular weight of 290.24 g/mol, XLogP of 0.60, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-methyloxamide is sourced from PubChem (CID 56765496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).