N-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide

C12H13F3N2O3 — CID 142031001

IUPACN-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide
SMILESCCc1ccc(NC(=O)CNO)c(C(=O)C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O3/c1-2-7-3-4-9(17-10(18)6-16-20)8(5-7)11(19)12(13,14)15/h3-5,16,20H,2,6H2,1H3,(H,17,18)
InChIKeySFQAEJIIRLEUQJ-UHFFFAOYSA-N
MW290.24 g/mol
LogP1.91
Rot. Bonds5

About N-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide

N-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide (PubChem CID 142031001) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is N-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide.

Molecular Properties

Compound NameN-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide
PubChem CID142031001
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC NameN-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide
SMILESCCc1ccc(NC(=O)CNO)c(C(=O)C(F)(F)F)c1
InChIInChI=1S/C12H13F3N2O3/c1-2-7-3-4-9(17-10(18)6-16-20)8(5-7)11(19)12(13,14)15/h3-5,16,20H,2,6H2,1H3,(H,17,18)
InChIKeySFQAEJIIRLEUQJ-UHFFFAOYSA-N
XLogP1.91
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-2-(3-methoxypropanoylamino)benzoic acid
CID 110480431
2-(3-chloropropanoylamino)-5-ethylbenzoic acid
CID 110465745
5-ethyl-2-(3-methylbutanoylamino)benzoic acid
CID 110465723
N,N'-bis(2,4-diethylphenyl)propanediamide
CID 19008540
ethyl 2-[(2-amino-5-ethylbenzoyl)amino]acetate
CID 139749939
2-[(2-ethoxy-2-oxoacetyl)amino]-5-ethylbenzoic acid
CID 110465813
N-[4-ethyl-2-(3-hydroxybut-1-ynyl)phenyl]-2,2,2-trifluoroacetamide
CID 154608853
N-(2-acetyl-4-ethylphenyl)but-2-ynamide
CID 178168009
5-ethyl-2-(1H-pyrrole-2-carbonylamino)benzoic acid
CID 110461098
methyl 2-[[2-(tert-butylamino)acetyl]amino]-5-methylbenzoate
CID 78929389
N-(2,4-dimethylphenyl)-2-(4-ethylanilino)acetamide
CID 7636771
1-(4-ethyl-2-methylphenyl)-3-methylurea
CID 23348894

Frequently Asked Questions

What is the IUPAC name of N-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide?
The IUPAC name of N-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide (CID 142031001) is N-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide.
What is the SMILES notation for N-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide?
The canonical SMILES for N-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide is CCc1ccc(NC(=O)CNO)c(C(=O)C(F)(F)F)c1.
What is the InChIKey of N-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide?
The InChIKey is SFQAEJIIRLEUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c1-2-7-3-4-9(17-10(18)6-16-20)8(5-7)11(19)12(13,14)15/h3-5,16,20H,2,6H2,1H3,(H,17,18).
What are the key properties of N-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide?
N-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide has a molecular weight of 290.24 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethyl-2-(2,2,2-trifluoroacetyl)phenyl]-2-(hydroxyamino)acetamide is sourced from PubChem (CID 142031001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).