N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride

C14H20ClF3N2O2 — CID 119507555

IUPACN-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)Oc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C14H19F3N2O2.ClH/c1-3-18-8-9-19-13(20)10(2)21-12-7-5-4-6-11(12)14(15,16)17;/h4-7,10,18H,3,8-9H2,1-2H3,(H,19,20);1H
InChIKeyYKAQIEFJZNJGIQ-UHFFFAOYSA-N
MW340.77 g/mol
LogP2.62
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride

N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride (PubChem CID 119507555) has the molecular formula C14H20ClF3N2O2 and a molecular weight of 340.77 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
PubChem CID119507555
Molecular FormulaC14H20ClF3N2O2
Molecular Weight340.77 g/mol
Exact Mass340.12
IUPAC NameN-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)Oc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C14H19F3N2O2.ClH/c1-3-18-8-9-19-13(20)10(2)21-12-7-5-4-6-11(12)14(15,16)17;/h4-7,10,18H,3,8-9H2,1-2H3,(H,19,20);1H
InChIKeyYKAQIEFJZNJGIQ-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 52.62
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

2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
(2S)-2-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119238412
2-phenyl-3-[2-[2-(trifluoromethyl)phenoxy]propanoylamino]propanoic acid
CID 119254881
(2R)-N-[2-(1,3-thiazol-2-yl)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95307077
N-[3-(aminomethyl)pentan-3-yl]-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 119570702
(2R,4R)-2-cyano-3-oxo-N-propyl-4-[2-(trifluoromethyl)phenoxy]pentanamide
CID 98132560
(2S)-N-(2-imidazol-1-ylethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95278922
(2R)-N-(1,3-thiazol-2-ylmethyl)-2-[2-(trifluoromethyl)phenoxy]propanamide
CID 95308650
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenoxy]propan-1-one
CID 119646730
N-(1-aminohexan-2-yl)-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride
CID 119667198
N-[2-(ethylamino)ethyl]-2-(4-phenylphenoxy)propanamide
CID 119509338
N-[2-(ethylamino)ethyl]-2-(2-methyl-5-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119508717

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride (CID 119507555) is N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride is CCNCCNC(=O)C(C)Oc1ccccc1C(F)(F)F.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
The InChIKey is YKAQIEFJZNJGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2.ClH/c1-3-18-8-9-19-13(20)10(2)21-12-7-5-4-6-11(12)14(15,16)17;/h4-7,10,18H,3,8-9H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride?
N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride has a molecular weight of 340.77 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-[2-(trifluoromethyl)phenoxy]propanamide;hydrochloride is sourced from PubChem (CID 119507555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).