N-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H13F3N2O3 — CID 102695182

IUPACN-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1ccc(NC(=O)CNCC(F)(F)F)c(O)c1
InChIInChI=1S/C11H13F3N2O3/c1-19-7-2-3-8(9(17)4-7)16-10(18)5-15-6-11(12,13)14/h2-4,15,17H,5-6H2,1H3,(H,16,18)
InChIKeyYQOXUTNFFLACPX-UHFFFAOYSA-N
MW278.23 g/mol
LogP1.49
Rot. Bonds5

About N-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 102695182) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID102695182
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC NameN-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOc1ccc(NC(=O)CNCC(F)(F)F)c(O)c1
InChIInChI=1S/C11H13F3N2O3/c1-19-7-2-3-8(9(17)4-7)16-10(18)5-15-6-11(12,13)14/h2-4,15,17H,5-6H2,1H3,(H,16,18)
InChIKeyYQOXUTNFFLACPX-UHFFFAOYSA-N
XLogP1.49
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915263
N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958038
N-(2-hydroxy-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 154796139
N-(2-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595958
6-amino-N-(2-hydroxy-4-methoxyphenyl)-4,4-dimethylhexanamide
CID 102695165
N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 106834745
N-(2-hydroxy-4-methoxyphenyl)-3-(methylamino)propanamide
CID 102695280
(2S)-2-amino-N-[2-(2-hydroxy-4-methoxyanilino)-2-oxoethyl]-3-methylbutanamide
CID 102695315
N-(2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914656
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 81364541
5-amino-N-(2-hydroxy-4-methoxyphenyl)pentanamide
CID 102695132
3-amino-N-(2-hydroxy-4-methoxyphenyl)-3-phenylpropanamide
CID 102695385

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 102695182) is N-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is COc1ccc(NC(=O)CNCC(F)(F)F)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is YQOXUTNFFLACPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-19-7-2-3-8(9(17)4-7)16-10(18)5-15-6-11(12,13)14/h2-4,15,17H,5-6H2,1H3,(H,16,18).
What are the key properties of N-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 278.23 g/mol, XLogP of 1.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 102695182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).