2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide

C19H20F3NO3 — CID 55504113

IUPAC2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO3/c1-13(26-17-9-7-16(25-2)8-10-17)18(24)23-12-11-14-3-5-15(6-4-14)19(20,21)22/h3-10,13H,11-12H2,1-2H3,(H,23,24)
InChIKeyCBJDEHOYWLLLPL-UHFFFAOYSA-N
MW367.37 g/mol
LogP3.84
Rot. Bonds7

About 2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide

2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 55504113) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID55504113
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESCOc1ccc(OC(C)C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO3/c1-13(26-17-9-7-16(25-2)8-10-17)18(24)23-12-11-14-3-5-15(6-4-14)19(20,21)22/h3-10,13H,11-12H2,1-2H3,(H,23,24)
InChIKeyCBJDEHOYWLLLPL-UHFFFAOYSA-N
XLogP3.84
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide (CID 55504113) is 2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide is COc1ccc(OC(C)C(=O)NCCc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is CBJDEHOYWLLLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-13(26-17-9-7-16(25-2)8-10-17)18(24)23-12-11-14-3-5-15(6-4-14)19(20,21)22/h3-10,13H,11-12H2,1-2H3,(H,23,24).
What are the key properties of 2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide?
2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 367.37 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 55504113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).