3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide

C12H15F3N2O2 — CID 91278985

IUPAC3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide
SMILESO=C(NC(F)(F)F)c1cccc(CCNCCO)c1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)17-11(19)10-3-1-2-9(8-10)4-5-16-6-7-18/h1-3,8,16,18H,4-7H2,(H,17,19)
InChIKeyBYKKWUOOTLIIEX-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.06
Rot. Bonds6

About 3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide

3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide (PubChem CID 91278985) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide
PubChem CID91278985
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide
SMILESO=C(NC(F)(F)F)c1cccc(CCNCCO)c1
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)17-11(19)10-3-1-2-9(8-10)4-5-16-6-7-18/h1-3,8,16,18H,4-7H2,(H,17,19)
InChIKeyBYKKWUOOTLIIEX-UHFFFAOYSA-N
XLogP1.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide?
The IUPAC name of 3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide (CID 91278985) is 3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide?
The canonical SMILES for 3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide is O=C(NC(F)(F)F)c1cccc(CCNCCO)c1.
What is the InChIKey of 3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide?
The InChIKey is BYKKWUOOTLIIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)17-11(19)10-3-1-2-9(8-10)4-5-16-6-7-18/h1-3,8,16,18H,4-7H2,(H,17,19).
What are the key properties of 3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide?
3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide has a molecular weight of 276.26 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethylamino)ethyl]-N-(trifluoromethyl)benzamide is sourced from PubChem (CID 91278985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).