3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride

C11H16ClFN2O2 — CID 119287036

IUPAC3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2.ClH/c12-9-1-3-10(4-2-9)16-8-7-14-11(15)5-6-13;/h1-4H,5-8,13H2,(H,14,15);1H
InChIKeyVTYKXAOXVYHAOG-UHFFFAOYSA-N
MW262.71 g/mol
LogP1.09
Rot. Bonds6

About 3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride

3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride (PubChem CID 119287036) has the molecular formula C11H16ClFN2O2 and a molecular weight of 262.71 g/mol. Its IUPAC name is 3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
PubChem CID119287036
Molecular FormulaC11H16ClFN2O2
Molecular Weight262.71 g/mol
Exact Mass262.09
IUPAC Name3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCOc1ccc(F)cc1
InChIInChI=1S/C11H15FN2O2.ClH/c12-9-1-3-10(4-2-9)16-8-7-14-11(15)5-6-13;/h1-4H,5-8,13H2,(H,14,15);1H
InChIKeyVTYKXAOXVYHAOG-UHFFFAOYSA-N
XLogP1.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.71
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
CID 119296668
4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
4-amino-N-[2-(3,4-difluorophenoxy)ethyl]butanamide;hydrochloride
CID 119320552
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride
CID 119319260
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
N-[2-(3-aminopropanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299548
3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride
CID 119321799
3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
CID 119284641
3-(4-fluorophenyl)sulfanyl-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 8935418

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride (CID 119287036) is 3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride is Cl.NCCC(=O)NCCOc1ccc(F)cc1.
What is the InChIKey of 3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride?
The InChIKey is VTYKXAOXVYHAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2.ClH/c12-9-1-3-10(4-2-9)16-8-7-14-11(15)5-6-13;/h1-4H,5-8,13H2,(H,14,15);1H.
What are the key properties of 3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride?
3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride has a molecular weight of 262.71 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119287036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).