2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide

C18H19F3N2O2 — CID 145463915

IUPAC2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide
SMILESCC(Oc1ccc(NCCc2ccc(C(F)(F)F)cc2)cc1)C(N)=O
InChIInChI=1S/C18H19F3N2O2/c1-12(17(22)24)25-16-8-6-15(7-9-16)23-11-10-13-2-4-14(5-3-13)18(19,20)21/h2-9,12,23H,10-11H2,1H3,(H2,22,24)
InChIKeyQPESEDIJBRPYLD-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.61
Rot. Bonds7

About 2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide

2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide (PubChem CID 145463915) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide.

Molecular Properties

Compound Name2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide
PubChem CID145463915
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide
SMILESCC(Oc1ccc(NCCc2ccc(C(F)(F)F)cc2)cc1)C(N)=O
InChIInChI=1S/C18H19F3N2O2/c1-12(17(22)24)25-16-8-6-15(7-9-16)23-11-10-13-2-4-14(5-3-13)18(19,20)21/h2-9,12,23H,10-11H2,1H3,(H2,22,24)
InChIKeyQPESEDIJBRPYLD-UHFFFAOYSA-N
XLogP3.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55504113
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63535943
(2R)-2-[4-(3-oxobutyl)phenoxy]propanamide
CID 28825316
butyl (2R)-2-[4-(trifluoromethyl)phenoxy]propanoate
CID 102301970
2-[4-(hydroxymethyl)phenoxy]propanamide
CID 43082830
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
2-[3,5-bis(trifluoromethyl)phenoxy]propanamide
CID 13242436
N-[2-(4-acetamidophenyl)ethyl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 167926376
1-[2-(4-methoxyphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 108896191
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
4-propan-2-yloxy-N-(2-pyridin-4-ylethyl)aniline
CID 60863119

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide?
The IUPAC name of 2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide (CID 145463915) is 2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide.
What is the SMILES notation for 2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide?
The canonical SMILES for 2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide is CC(Oc1ccc(NCCc2ccc(C(F)(F)F)cc2)cc1)C(N)=O.
What is the InChIKey of 2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide?
The InChIKey is QPESEDIJBRPYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-12(17(22)24)25-16-8-6-15(7-9-16)23-11-10-13-2-4-14(5-3-13)18(19,20)21/h2-9,12,23H,10-11H2,1H3,(H2,22,24).
What are the key properties of 2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide?
2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide has a molecular weight of 352.36 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-(trifluoromethyl)phenyl]ethylamino]phenoxy]propanamide is sourced from PubChem (CID 145463915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).