2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide

C12H15F3N2O2 — CID 107485874

IUPAC2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide
SMILESNC(=O)c1ccccc1CN(CCO)CC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-17(5-6-18)7-9-3-1-2-4-10(9)11(16)19/h1-4,18H,5-8H2,(H2,16,19)
InChIKeyLOOOIWPJNWWUPN-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.14
Rot. Bonds6

About 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide

2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide (PubChem CID 107485874) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide
PubChem CID107485874
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide
SMILESNC(=O)c1ccccc1CN(CCO)CC(F)(F)F
InChIInChI=1S/C12H15F3N2O2/c13-12(14,15)8-17(5-6-18)7-9-3-1-2-4-10(9)11(16)19/h1-4,18H,5-8H2,(H2,16,19)
InChIKeyLOOOIWPJNWWUPN-UHFFFAOYSA-N
XLogP1.14
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 107493149
2-[(3-chloro-2-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 102848141
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 63583548
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]pyridine-3-carboxylic acid
CID 114198835
4-fluoro-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzoic acid
CID 107480934
5-fluoro-2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarboximidamide
CID 107480310
4-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-3-methylbenzenecarbothioamide
CID 107479970
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 55010997
methyl 2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzoate
CID 82968950
2-[(2,5-difluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864964
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]benzoic acid
CID 107480825
2-[[2-(dimethylamino)ethyl-methylamino]methyl]benzamide
CID 141152693

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide?
The IUPAC name of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide (CID 107485874) is 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide.
What is the SMILES notation for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide?
The canonical SMILES for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide is NC(=O)c1ccccc1CN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide?
The InChIKey is LOOOIWPJNWWUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c13-12(14,15)8-17(5-6-18)7-9-3-1-2-4-10(9)11(16)19/h1-4,18H,5-8H2,(H2,16,19).
What are the key properties of 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide?
2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide has a molecular weight of 276.26 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]benzamide is sourced from PubChem (CID 107485874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).