N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

C12H15F3N2O2 — CID 106834745

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1cc(NC(=O)CNCC(F)(F)F)c(C)cc1O
InChIInChI=1S/C12H15F3N2O2/c1-7-4-10(18)8(2)3-9(7)17-11(19)5-16-6-12(13,14)15/h3-4,16,18H,5-6H2,1-2H3,(H,17,19)
InChIKeyPCKODPMRCFOYAL-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.10
Rot. Bonds4

About N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 106834745) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID106834745
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCc1cc(NC(=O)CNCC(F)(F)F)c(C)cc1O
InChIInChI=1S/C12H15F3N2O2/c1-7-4-10(18)8(2)3-9(7)17-11(19)5-16-6-12(13,14)15/h3-4,16,18H,5-6H2,1-2H3,(H,17,19)
InChIKeyPCKODPMRCFOYAL-UHFFFAOYSA-N
XLogP2.10
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 106834745) is N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is Cc1cc(NC(=O)CNCC(F)(F)F)c(C)cc1O.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is PCKODPMRCFOYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-7-4-10(18)8(2)3-9(7)17-11(19)5-16-6-12(13,14)15/h3-4,16,18H,5-6H2,1-2H3,(H,17,19).
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 276.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 106834745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).