2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride

C13H20ClFN2O2 — CID 119286704

IUPAC2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(F)cc1OCC.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-3-5-10(15)13(17)16-11-7-6-9(14)8-12(11)18-4-2;/h6-8,10H,3-5,15H2,1-2H3,(H,16,17);1H
InChIKeyIOQRHLHXECDVAH-UHFFFAOYSA-N
MW290.77 g/mol
LogP2.71
Rot. Bonds6

About 2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride

2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride (PubChem CID 119286704) has the molecular formula C13H20ClFN2O2 and a molecular weight of 290.77 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride
PubChem CID119286704
Molecular FormulaC13H20ClFN2O2
Molecular Weight290.77 g/mol
Exact Mass290.12
IUPAC Name2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(F)cc1OCC.Cl
InChIInChI=1S/C13H19FN2O2.ClH/c1-3-5-10(15)13(17)16-11-7-6-9(14)8-12(11)18-4-2;/h6-8,10H,3-5,15H2,1-2H3,(H,16,17);1H
InChIKeyIOQRHLHXECDVAH-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119286702
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CID 119340157
2-amino-N-(4-fluoro-2-iodophenyl)pentanamide
CID 79766616
1-(2-ethoxy-4-fluorophenyl)-3-methoxyurea
CID 75415528
N-[4-(2-aminopentanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265926
(2R)-2-amino-N-(2,5-diethoxyphenyl)pentanamide
CID 103794070
5-amino-N-(2-ethoxy-4-fluorophenyl)hexanamide
CID 82851234
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)pentanamide
CID 107625667
1-(2-ethoxy-4-fluorophenyl)-3-(3-methylbutyl)urea
CID 47237901
1-(2-ethoxy-4-fluorophenyl)-3-(3-hydroxybutyl)urea
CID 111336857
2-amino-N-[2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 119266399
(2S)-2-amino-N-(4-fluoro-2-methoxyphenyl)-4-methylsulfanylbutanamide
CID 54967553

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride (CID 119286704) is 2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride is CCCC(N)C(=O)Nc1ccc(F)cc1OCC.Cl.
What is the InChIKey of 2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride?
The InChIKey is IOQRHLHXECDVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2.ClH/c1-3-5-10(15)13(17)16-11-7-6-9(14)8-12(11)18-4-2;/h6-8,10H,3-5,15H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride?
2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride has a molecular weight of 290.77 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxy-4-fluorophenyl)pentanamide;hydrochloride is sourced from PubChem (CID 119286704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).