N'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide

C11H11F3N2O3 — CID 99636395

IUPACN'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide
SMILESCONC(=O)C(=O)Nc1ccccc1CC(F)(F)F
InChIInChI=1S/C11H11F3N2O3/c1-19-16-10(18)9(17)15-8-5-3-2-4-7(8)6-11(12,13)14/h2-5H,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyIQLLEYVIQBCSLF-UHFFFAOYSA-N
MW276.21 g/mol
LogP1.41
Rot. Bonds3

About N'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide

N'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide (PubChem CID 99636395) has the molecular formula C11H11F3N2O3 and a molecular weight of 276.21 g/mol. Its IUPAC name is N'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide.

Molecular Properties

Compound NameN'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide
PubChem CID99636395
Molecular FormulaC11H11F3N2O3
Molecular Weight276.21 g/mol
Exact Mass276.07
IUPAC NameN'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide
SMILESCONC(=O)C(=O)Nc1ccccc1CC(F)(F)F
InChIInChI=1S/C11H11F3N2O3/c1-19-16-10(18)9(17)15-8-5-3-2-4-7(8)6-11(12,13)14/h2-5H,6H2,1H3,(H,15,17)(H,16,18)
InChIKeyIQLLEYVIQBCSLF-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2-methylbutyl)-N'-[2-(2,2,2-trifluoroethyl)phenyl]oxamide
CID 111490979
N'-(2-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 44998950
N,N'-bis(2-ethylphenyl)-2,2,3,3,4,4,5,5-octafluorohexanediamide
CID 5203478
1-(4-hydroxy-2,2-dimethylbutyl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475443
N-(2-ethylphenyl)-2-methylprop-2-enamide
CID 54544779
1-(1-hydroxypentan-3-yl)-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475455
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2-(2-ethylanilino)-2-oxoacetyl chloride
CID 87858291
1-[(1-hydroxycyclohexyl)methyl]-3-[2-(2,2,2-trifluoroethyl)phenyl]urea
CID 111475461
N-(2,4-dimethoxyphenyl)-N'-(2-ethylphenyl)oxamide
CID 3220613
2-amino-3,3,3-trifluoro-N-[2-(methoxymethyl)phenyl]-2-methylpropanamide
CID 79797184

Frequently Asked Questions

What is the IUPAC name of N'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide?
The IUPAC name of N'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide (CID 99636395) is N'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide.
What is the SMILES notation for N'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide?
The canonical SMILES for N'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide is CONC(=O)C(=O)Nc1ccccc1CC(F)(F)F.
What is the InChIKey of N'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide?
The InChIKey is IQLLEYVIQBCSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3/c1-19-16-10(18)9(17)15-8-5-3-2-4-7(8)6-11(12,13)14/h2-5H,6H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide?
N'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide has a molecular weight of 276.21 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methoxy-N-[2-(2,2,2-trifluoroethyl)phenyl]oxamide is sourced from PubChem (CID 99636395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).