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

C11H16ClFN2O2 — CID 119266845

IUPAC(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCCOc1ccccc1F.Cl
InChIInChI=1S/C11H15FN2O2.ClH/c1-8(13)11(15)14-6-7-16-10-5-3-2-4-9(10)12;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H/t8-;/m1./s1
InChIKeyQIMFPWGPDSTQLQ-DDWIOCJRSA-N
MW262.71 g/mol
LogP1.09
Rot. Bonds5

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

(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride (PubChem CID 119266845) has the molecular formula C11H16ClFN2O2 and a molecular weight of 262.71 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
PubChem CID119266845
Molecular FormulaC11H16ClFN2O2
Molecular Weight262.71 g/mol
Exact Mass262.09
IUPAC Name(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NCCOc1ccccc1F.Cl
InChIInChI=1S/C11H15FN2O2.ClH/c1-8(13)11(15)14-6-7-16-10-5-3-2-4-9(10)12;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H/t8-;/m1./s1
InChIKeyQIMFPWGPDSTQLQ-DDWIOCJRSA-N
XLogP1.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

N-[2-(2-fluorophenoxy)ethyl]-2-methylpropanamide
CID 110478459
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-4-methylpentanamide
CID 110482461
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]butanediamide
CID 110482734
2-amino-N-[3-(2,4-difluorophenoxy)propyl]propanamide
CID 112509123
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
(2S)-2-amino-N-[2-(4-fluorophenoxy)ethyl]propanamide
CID 82679348
(2S)-2-amino-N-[2-(2-fluorophenoxy)butyl]propanamide;hydrochloride
CID 119340588
2-(4-bromophenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 18113570
tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
N-[2-(2-aminopropanoylamino)ethyl]-2-fluorobenzamide;hydrochloride
CID 119299574
ethyl N-[1-[3-(2-fluorophenoxy)propylamino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46456848
1-[2-(2-fluorophenoxy)ethyl]-3-pentylurea
CID 112970219

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride (CID 119266845) is (2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride is C[C@@H](N)C(=O)NCCOc1ccccc1F.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride?
The InChIKey is QIMFPWGPDSTQLQ-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H15FN2O2.ClH/c1-8(13)11(15)14-6-7-16-10-5-3-2-4-9(10)12;/h2-5,8H,6-7,13H2,1H3,(H,14,15);1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride?
(2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride has a molecular weight of 262.71 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(2-fluorophenoxy)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119266845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).