4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide

C11H13F3N2O2 — CID 54904763

IUPAC4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESNc1ccc(C(=O)N(CCO)CC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)7-16(5-6-17)10(18)8-1-3-9(15)4-2-8/h1-4,17H,5-7,15H2
InChIKeyUEMKDRLGWMEKTJ-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.27
Rot. Bonds4

About 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide

4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 54904763) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID54904763
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESNc1ccc(C(=O)N(CCO)CC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)7-16(5-6-17)10(18)8-1-3-9(15)4-2-8/h1-4,17H,5-7,15H2
InChIKeyUEMKDRLGWMEKTJ-UHFFFAOYSA-N
XLogP1.27
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)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

4-carbamothioyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107479787
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)benzamide
CID 54906063
3,4-dihydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103957675
2-(4-aminophenyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 54904791
4-butyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103915592
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 60946492
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103857359
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 103857357
6-bromo-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 66462930
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60892887
3-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61116148

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 54904763) is 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is Nc1ccc(C(=O)N(CCO)CC(F)(F)F)cc1.
What is the InChIKey of 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is UEMKDRLGWMEKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)7-16(5-6-17)10(18)8-1-3-9(15)4-2-8/h1-4,17H,5-7,15H2.
What are the key properties of 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide?
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 262.23 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 54904763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).