2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide

C18H18F3NO3 — CID 4733098

IUPAC2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3NO3/c1-2-9-24-15-7-4-8-16(11-15)25-12-17(23)22-14-6-3-5-13(10-14)18(19,20)21/h3-8,10-11H,2,9,12H2,1H3,(H,22,23)
InChIKeyCSVPZNREZMYAJN-UHFFFAOYSA-N
MW353.34 g/mol
LogP4.51
Rot. Bonds7

About 2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide

2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 4733098) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID4733098
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3NO3/c1-2-9-24-15-7-4-8-16(11-15)25-12-17(23)22-14-6-3-5-13(10-14)18(19,20)21/h3-8,10-11H,2,9,12H2,1H3,(H,22,23)
InChIKeyCSVPZNREZMYAJN-UHFFFAOYSA-N
XLogP4.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7960465
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34280640
2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide
CID 18870141
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
3-[[2-[3-(trifluoromethyl)phenoxy]acetyl]amino]benzamide
CID 18084407
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163
N-(3-prop-2-enoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 95162922
2-[4-(2-methoxyethyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2126324
2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
2-(2,4-ditert-butylphenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096794
2-phenoxy-N-[4-[3-(trifluoromethyl)anilino]phenyl]acetamide
CID 112988067
N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757579

Frequently Asked Questions

What is the IUPAC name of 2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide (CID 4733098) is 2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide is CCCOc1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is CSVPZNREZMYAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-2-9-24-15-7-4-8-16(11-15)25-12-17(23)22-14-6-3-5-13(10-14)18(19,20)21/h3-8,10-11H,2,9,12H2,1H3,(H,22,23).
What are the key properties of 2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 353.34 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4733098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).