3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide

C11H13F3N2O2 — CID 70106435

IUPAC3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide
SMILESCCNc1cc(C(F)(F)F)cc(C(N)=O)c1CO
InChIInChI=1S/C11H13F3N2O2/c1-2-16-9-4-6(11(12,13)14)3-7(10(15)18)8(9)5-17/h3-4,16-17H,2,5H2,1H3,(H2,15,18)
InChIKeyDODYUNTVIXOLPB-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.73
Rot. Bonds4

About 3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide

3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide (PubChem CID 70106435) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide
PubChem CID70106435
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide
SMILESCCNc1cc(C(F)(F)F)cc(C(N)=O)c1CO
InChIInChI=1S/C11H13F3N2O2/c1-2-16-9-4-6(11(12,13)14)3-7(10(15)18)8(9)5-17/h3-4,16-17H,2,5H2,1H3,(H2,15,18)
InChIKeyDODYUNTVIXOLPB-UHFFFAOYSA-N
XLogP1.73
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(ethylamino)-2-(hydroxymethyl)-5-(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

Related Compounds

2-methyl-3-(methylamino)-5-(trifluoromethyl)benzamide
CID 123839907
2-(ethylamino)-5-(trifluoromethyl)benzenecarboximidamide
CID 62201411
2-(ethylamino)-4,5-difluorobenzamide
CID 174841980
2-[2-(propylamino)ethylamino]-5-(trifluoromethyl)benzamide
CID 62664652
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
methyl 2-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 102717921
3-fluoro-2,5-bis(trifluoromethyl)benzamide
CID 118998212
N-ethyl-2-methyl-5-(trifluoromethyl)aniline
CID 66480929
3-tert-butyl-5-(trifluoromethyl)benzamide
CID 176746545
2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide
CID 70098702
ethyl 2-[2-carbamothioyl-4-(trifluoromethyl)anilino]acetate
CID 60810513
2-(ethylamino)-5-(trifluoromethyl)phenol
CID 82262951

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide (CID 70106435) is 3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide is CCNc1cc(C(F)(F)F)cc(C(N)=O)c1CO.
What is the InChIKey of 3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide?
The InChIKey is DODYUNTVIXOLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-2-16-9-4-6(11(12,13)14)3-7(10(15)18)8(9)5-17/h3-4,16-17H,2,5H2,1H3,(H2,15,18).
What are the key properties of 3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide?
3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide has a molecular weight of 262.23 g/mol, XLogP of 1.73, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-2-(hydroxymethyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70106435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).