3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride

C12H17BrClFN2O — CID 119327413

IUPAC3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCCc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O.ClH/c13-10-4-3-9(11(14)8-10)2-1-7-16-12(17)5-6-15;/h3-4,8H,1-2,5-7,15H2,(H,16,17);1H
InChIKeyFOCGILSYESQLJY-UHFFFAOYSA-N
MW339.64 g/mol
LogP2.41
Rot. Bonds6

About 3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride

3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride (PubChem CID 119327413) has the molecular formula C12H17BrClFN2O and a molecular weight of 339.64 g/mol. Its IUPAC name is 3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride
PubChem CID119327413
Molecular FormulaC12H17BrClFN2O
Molecular Weight339.64 g/mol
Exact Mass338.02
IUPAC Name3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCCc1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O.ClH/c13-10-4-3-9(11(14)8-10)2-1-7-16-12(17)5-6-15;/h3-4,8H,1-2,5-7,15H2,(H,16,17);1H
InChIKeyFOCGILSYESQLJY-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.64
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]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

3-bromo-N-[3-[3-(4-bromo-2-fluorophenyl)propanoylamino]propyl]benzamide
CID 60622420
3-(4-bromo-2-fluorophenyl)-N-[3-oxo-3-(prop-2-ynylamino)propyl]propanamide
CID 49206881
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
7-amino-N-[2-(5-bromo-2-fluorophenyl)ethyl]heptanamide
CID 119745593
methyl 3-[[N-[3-(4-bromo-2-fluorophenyl)propyl]-N'-methylcarbamimidoyl]amino]propanoate
CID 111604278
3-(4-bromo-2-fluorophenyl)-N-prop-2-ynylpropanamide
CID 47468902
3-[[N-[3-(4-bromo-2-fluorophenyl)propyl]-N'-methylcarbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111604248
methyl 3-[[N-[3-(4-bromo-2-fluorophenyl)propyl]-N'-methylcarbamimidoyl]amino]propanoate;hydroiodide
CID 111604277
N-[2-[[N-[3-(4-bromo-2-fluorophenyl)propyl]-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111604302
N-[(4-bromo-2-fluorophenyl)methyl]-3-hydroxypropanamide
CID 124707474
3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083
4-[[3-(4-bromo-2-fluorophenyl)propanoylamino]methyl]benzamide
CID 51127668

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride (CID 119327413) is 3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride is Cl.NCCC(=O)NCCCc1ccc(Br)cc1F.
What is the InChIKey of 3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride?
The InChIKey is FOCGILSYESQLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O.ClH/c13-10-4-3-9(11(14)8-10)2-1-7-16-12(17)5-6-15;/h3-4,8H,1-2,5-7,15H2,(H,16,17);1H.
What are the key properties of 3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride?
3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride has a molecular weight of 339.64 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-bromo-2-fluorophenyl)propyl]propanamide;hydrochloride is sourced from PubChem (CID 119327413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).