3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride

C11H16ClFN2O — CID 120616335

IUPAC3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride
SMILESCCNC(=O)C(CN)c1ccc(F)cc1.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-2-14-11(15)10(7-13)8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3,(H,14,15);1H
InChIKeyHGPRWJROQVTKKZ-UHFFFAOYSA-N
MW246.71 g/mol
LogP1.43
Rot. Bonds4

About 3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride

3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride (PubChem CID 120616335) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is 3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride
PubChem CID120616335
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride
SMILESCCNC(=O)C(CN)c1ccc(F)cc1.Cl
InChIInChI=1S/C11H15FN2O.ClH/c1-2-14-11(15)10(7-13)8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3,(H,14,15);1H
InChIKeyHGPRWJROQVTKKZ-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride 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

5-amino-N-ethyl-2-(4-fluorophenyl)pentanamide
CID 112515678
5-(ethylamino)-4-(4-fluorophenyl)-5-oxopentanoic acid
CID 112516346
3-amino-N-ethyl-2-(4-fluorophenyl)-N-methylpropanamide;hydrochloride
CID 120630206
3-amino-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylpropanamide
CID 81347787
4-amino-2-(4-fluorophenyl)-N-(2-methylpropyl)butanamide
CID 112516304
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459
2-[[2-amino-1-(4-fluorophenyl)ethyl]-ethylamino]-N-ethylacetamide
CID 55016540
4-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120513410
3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62877979
3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
2-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120523263
3-amino-N-[2-oxo-2-(propylamino)ethyl]-2-phenylpropanamide;hydrochloride
CID 119689808

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride (CID 120616335) is 3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride is CCNC(=O)C(CN)c1ccc(F)cc1.Cl.
What is the InChIKey of 3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride?
The InChIKey is HGPRWJROQVTKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O.ClH/c1-2-14-11(15)10(7-13)8-3-5-9(12)6-4-8;/h3-6,10H,2,7,13H2,1H3,(H,14,15);1H.
What are the key properties of 3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride?
3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride has a molecular weight of 246.71 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-2-(4-fluorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 120616335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).