2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide

C12H15F3N2O2 — CID 70098587

IUPAC2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
SMILESCC(C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C12H15F3N2O2/c1-11(2,19)6-17-10(18)8-5-7(12(13,14)15)3-4-9(8)16/h3-5,19H,6,16H2,1-2H3,(H,17,18)
InChIKeyPUITULOTARYEAB-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.79
Rot. Bonds3

About 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide

2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide (PubChem CID 70098587) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
PubChem CID70098587
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
SMILESCC(C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C12H15F3N2O2/c1-11(2,19)6-17-10(18)8-5-7(12(13,14)15)3-4-9(8)16/h3-5,19H,6,16H2,1-2H3,(H,17,18)
InChIKeyPUITULOTARYEAB-UHFFFAOYSA-N
XLogP1.79
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide (CID 70098587) is 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide is CC(C)(O)CNC(=O)c1cc(C(F)(F)F)ccc1N.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide?
The InChIKey is PUITULOTARYEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-11(2,19)6-17-10(18)8-5-7(12(13,14)15)3-4-9(8)16/h3-5,19H,6,16H2,1-2H3,(H,17,18).
What are the key properties of 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide?
2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide has a molecular weight of 276.26 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70098587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).