2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide

C17H13F3N2O3 — CID 7993287

IUPAC2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F3N2O3/c1-2-24-14-7-10(8-21)3-6-13(14)25-9-15(23)22-12-5-4-11(18)16(19)17(12)20/h3-7H,2,9H2,1H3,(H,22,23)
InChIKeyNYZWNBMNADREQI-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.39
Rot. Bonds6

About 2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide

2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 7993287) has the molecular formula C17H13F3N2O3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID7993287
Molecular FormulaC17H13F3N2O3
Molecular Weight350.30 g/mol
Exact Mass350.09
IUPAC Name2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C17H13F3N2O3/c1-2-24-14-7-10(8-21)3-6-13(14)25-9-15(23)22-12-5-4-11(18)16(19)17(12)20/h3-7H,2,9H2,1H3,(H,22,23)
InChIKeyNYZWNBMNADREQI-UHFFFAOYSA-N
XLogP3.39
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 7992848
N-(4-bromo-2-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993139
N-(2-chloro-3-pyridinyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7992846
N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 46421737
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993191
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993369
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 16511735
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
2-(4-cyano-2-ethoxyphenoxy)-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 7992879
2-(4-cyano-2-fluorophenoxy)-N-(2-fluorophenyl)acetamide
CID 103793510
2-(4-cyano-2-ethoxyphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 86925041

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide (CID 7993287) is 2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide is CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is NYZWNBMNADREQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3/c1-2-24-14-7-10(8-21)3-6-13(14)25-9-15(23)22-12-5-4-11(18)16(19)17(12)20/h3-7H,2,9H2,1H3,(H,22,23).
What are the key properties of 2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide?
2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 350.30 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 7993287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).