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

C12H16ClF3N2O2 — CID 119296668

IUPAC3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2.ClH/c13-12(14,15)9-1-3-10(4-2-9)19-8-7-17-11(18)5-6-16;/h1-4H,5-8,16H2,(H,17,18);1H
InChIKeyIQUKIGMCJCOWPD-UHFFFAOYSA-N
MW312.72 g/mol
LogP1.97
Rot. Bonds6

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

3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride (PubChem CID 119296668) has the molecular formula C12H16ClF3N2O2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
PubChem CID119296668
Molecular FormulaC12H16ClF3N2O2
Molecular Weight312.72 g/mol
Exact Mass312.09
IUPAC Name3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCCOc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2.ClH/c13-12(14,15)9-1-3-10(4-2-9)19-8-7-17-11(18)5-6-16;/h1-4H,5-8,16H2,(H,17,18);1H
InChIKeyIQUKIGMCJCOWPD-UHFFFAOYSA-N
XLogP1.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 51.97
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-fluorophenoxy)ethyl]propanamide;hydrochloride
CID 119287036
4-amino-3-methoxy-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide;hydrochloride
CID 120589465
2-(4-chlorophenyl)-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]acetamide
CID 55803102
1-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296688
4-morpholin-4-yl-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 47059248
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
4-fluoro-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059246
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]butanamide
CID 55969709
3-amino-N-[2-(4-butoxyphenyl)ethyl]propanamide;hydrochloride
CID 119284641
4-amino-N-[2-(3,4-difluorophenoxy)ethyl]butanamide;hydrochloride
CID 119320552
3-amino-N-[2-(2-tert-butylphenoxy)ethyl]propanamide;hydrochloride
CID 119321799

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride (CID 119296668) is 3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride is Cl.NCCC(=O)NCCOc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride?
The InChIKey is IQUKIGMCJCOWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2.ClH/c13-12(14,15)9-1-3-10(4-2-9)19-8-7-17-11(18)5-6-16;/h1-4H,5-8,16H2,(H,17,18);1H.
What are the key properties of 3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride?
3-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride has a molecular weight of 312.72 g/mol, XLogP of 1.97, 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-(trifluoromethyl)phenoxy]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119296668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).