2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide

C13H19FN2O2 — CID 65108644

IUPAC2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(F)cc1N
InChIInChI=1S/C13H19FN2O2/c1-3-13(18,4-2)8-16-12(17)10-6-5-9(14)7-11(10)15/h5-7,18H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyIXAGPULJAYSNIG-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.69
Rot. Bonds5

About 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide

2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide (PubChem CID 65108644) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide
PubChem CID65108644
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(F)cc1N
InChIInChI=1S/C13H19FN2O2/c1-3-13(18,4-2)8-16-12(17)10-6-5-9(14)7-11(10)15/h5-7,18H,3-4,8,15H2,1-2H3,(H,16,17)
InChIKeyIXAGPULJAYSNIG-UHFFFAOYSA-N
XLogP1.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide 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-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide
CID 63110068
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
N-(2-ethyl-2-hydroxybutyl)-5-fluoro-2-nitrobenzamide
CID 65106919
2-amino-N-(2-ethyl-2-hydroxybutyl)-4,5-dimethoxybenzamide
CID 65104180
2-amino-4-fluoro-N-prop-2-ynylbenzamide
CID 62074165
2-amino-N-(cyanomethyl)-4-fluorobenzamide
CID 63110564
2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide
CID 111483229
2-amino-N-[2-(carbamoylamino)ethyl]-4-fluorobenzamide
CID 83120721
N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide
CID 81483936
2-amino-4-fluoro-N-(3-hydroxybutyl)benzamide
CID 64913148
2-amino-4-fluoro-N-[(4-methylphenyl)methyl]benzamide
CID 62073634
2-amino-4-fluoro-N-hydroxybenzamide
CID 11593504

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide?
The IUPAC name of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide (CID 65108644) is 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide is CCC(O)(CC)CNC(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide?
The InChIKey is IXAGPULJAYSNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-3-13(18,4-2)8-16-12(17)10-6-5-9(14)7-11(10)15/h5-7,18H,3-4,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide?
2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide has a molecular weight of 254.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethyl-2-hydroxybutyl)-4-fluorobenzamide is sourced from PubChem (CID 65108644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).