2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride

C11H14ClF3N2O3 — CID 120992183

IUPAC2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1ccc(O)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H13F3N2O3.ClH/c1-19-5-8(15)10(18)16-6-2-3-9(17)7(4-6)11(12,13)14;/h2-4,8,17H,5,15H2,1H3,(H,16,18);1H
InChIKeyWFJKRXCZIWVXFA-UHFFFAOYSA-N
MW314.69 g/mol
LogP1.75
Rot. Bonds4

About 2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride

2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride (PubChem CID 120992183) has the molecular formula C11H14ClF3N2O3 and a molecular weight of 314.69 g/mol. Its IUPAC name is 2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride
PubChem CID120992183
Molecular FormulaC11H14ClF3N2O3
Molecular Weight314.69 g/mol
Exact Mass314.06
IUPAC Name2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1ccc(O)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C11H13F3N2O3.ClH/c1-19-5-8(15)10(18)16-6-2-3-9(17)7(4-6)11(12,13)14;/h2-4,8,17H,5,15H2,1H3,(H,16,18);1H
InChIKeyWFJKRXCZIWVXFA-UHFFFAOYSA-N
XLogP1.75
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.69
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride?
The IUPAC name of 2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride (CID 120992183) is 2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)Nc1ccc(O)c(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride?
The InChIKey is WFJKRXCZIWVXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3.ClH/c1-19-5-8(15)10(18)16-6-2-3-9(17)7(4-6)11(12,13)14;/h2-4,8,17H,5,15H2,1H3,(H,16,18);1H.
What are the key properties of 2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride?
2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride has a molecular weight of 314.69 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120992183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).