2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide

C17H15ClF3NO3 — CID 30865964

IUPAC2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15ClF3NO3/c18-13-4-6-14(7-5-13)25-11-16(23)22-8-9-24-15-3-1-2-12(10-15)17(19,20)21/h1-7,10H,8-9,11H2,(H,22,23)
InChIKeyDVKMDBYJKUMTNK-UHFFFAOYSA-N
MW373.76 g/mol
LogP3.93
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide

2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide (PubChem CID 30865964) has the molecular formula C17H15ClF3NO3 and a molecular weight of 373.76 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide
PubChem CID30865964
Molecular FormulaC17H15ClF3NO3
Molecular Weight373.76 g/mol
Exact Mass373.07
IUPAC Name2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide
SMILESO=C(COc1ccc(Cl)cc1)NCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H15ClF3NO3/c18-13-4-6-14(7-5-13)25-11-16(23)22-8-9-24-15-3-1-2-12(10-15)17(19,20)21/h1-7,10H,8-9,11H2,(H,22,23)
InChIKeyDVKMDBYJKUMTNK-UHFFFAOYSA-N
XLogP3.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide (CID 30865964) is 2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide is O=C(COc1ccc(Cl)cc1)NCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide?
The InChIKey is DVKMDBYJKUMTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO3/c18-13-4-6-14(7-5-13)25-11-16(23)22-8-9-24-15-3-1-2-12(10-15)17(19,20)21/h1-7,10H,8-9,11H2,(H,22,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide?
2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide has a molecular weight of 373.76 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]acetamide is sourced from PubChem (CID 30865964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).