N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide

C17H25FN2O3 — CID 111463405

IUPACN-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H25FN2O3/c1-3-17(22,4-2)12-19-16(21)13-5-6-15(14(18)11-13)20-7-9-23-10-8-20/h5-6,11,22H,3-4,7-10,12H2,1-2H3,(H,19,21)
InChIKeyUTGBWKQLXSUMLY-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.94
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide

N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide (PubChem CID 111463405) has the molecular formula C17H25FN2O3 and a molecular weight of 324.40 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide
PubChem CID111463405
Molecular FormulaC17H25FN2O3
Molecular Weight324.40 g/mol
Exact Mass324.18
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide
SMILESCCC(O)(CC)CNC(=O)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H25FN2O3/c1-3-17(22,4-2)12-19-16(21)13-5-6-15(14(18)11-13)20-7-9-23-10-8-20/h5-6,11,22H,3-4,7-10,12H2,1-2H3,(H,19,21)
InChIKeyUTGBWKQLXSUMLY-UHFFFAOYSA-N
XLogP1.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide 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 N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide (CID 111463405) is N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide is CCC(O)(CC)CNC(=O)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide?
The InChIKey is UTGBWKQLXSUMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3/c1-3-17(22,4-2)12-19-16(21)13-5-6-15(14(18)11-13)20-7-9-23-10-8-20/h5-6,11,22H,3-4,7-10,12H2,1-2H3,(H,19,21).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide?
N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide has a molecular weight of 324.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-fluoro-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 111463405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).