N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride

C13H20ClFN2O2 — CID 120506795

IUPACN-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CCCOc1cccc(F)c1.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-10(9-15)16-13(17)6-3-7-18-12-5-2-4-11(14)8-12;/h2,4-5,8,10H,3,6-7,9,15H2,1H3,(H,16,17);1H/t10-;/m0./s1
InChIKeyGSLSYBVHZBDHBH-PPHPATTJSA-N
MW290.77 g/mol
LogP1.87
Rot. Bonds7

About N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride (PubChem CID 120506795) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride
PubChem CID120506795
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)CCCOc1cccc(F)c1.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-10(9-15)16-13(17)6-3-7-18-12-5-2-4-11(14)8-12;/h2,4-5,8,10H,3,6-7,9,15H2,1H3,(H,16,17);1H/t10-;/m0./s1
InChIKeyGSLSYBVHZBDHBH-PPHPATTJSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.87
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

4-(3-fluorophenoxy)-N-(1-hydroxypropan-2-yl)butanamide
CID 110901665
N-(2-amino-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119616654
(2S)-2-[4-(3-fluorophenoxy)butanoylamino]-3-methylbutanoic acid
CID 119359981
N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
CID 120508578
N-(2-amino-1-cyclopropylethyl)-4-(3-fluorophenoxy)butanamide
CID 119616655
N-[(2S)-1-aminopropan-2-yl]-4-(4-chloro-3-methylphenoxy)butanamide
CID 120507285
2-[4-(3-fluorophenoxy)butanoylamino]-3-methylpentanoic acid
CID 119211432
N-(3-aminopropyl)-4-(3-fluorophenoxy)butanamide;hydrochloride
CID 119408050
4-(3-fluorophenoxy)-N-[(2S)-4-(1-methylpyrrol-2-yl)butan-2-yl]butanamide
CID 95777428
4-(3-bromophenoxy)-N-butan-2-ylbutanamide
CID 112759657
N-(2-amino-2-ethylbutyl)-4-(3-fluorophenoxy)butanamide
CID 119642968
N-[(2S)-1-aminopropan-2-yl]-4-(2-ethoxyphenoxy)butanamide
CID 120507806

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride (CID 120506795) is N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride is C[C@@H](CN)NC(=O)CCCOc1cccc(F)c1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride?
The InChIKey is GSLSYBVHZBDHBH-PPHPATTJSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c1-10(9-15)16-13(17)6-3-7-18-12-5-2-4-11(14)8-12;/h2,4-5,8,10H,3,6-7,9,15H2,1H3,(H,16,17);1H/t10-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-(3-fluorophenoxy)butanamide;hydrochloride is sourced from PubChem (CID 120506795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).