2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide

C17H14F2N2O3 — CID 7992848

IUPAC2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C17H14F2N2O3/c1-2-23-16-7-11(9-20)3-6-15(16)24-10-17(22)21-14-8-12(18)4-5-13(14)19/h3-8H,2,10H2,1H3,(H,21,22)
InChIKeyALFMWAOXNDWASL-UHFFFAOYSA-N
MW332.31 g/mol
LogP3.25
Rot. Bonds6

About 2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide

2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide (PubChem CID 7992848) has the molecular formula C17H14F2N2O3 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide
PubChem CID7992848
Molecular FormulaC17H14F2N2O3
Molecular Weight332.31 g/mol
Exact Mass332.10
IUPAC Name2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C17H14F2N2O3/c1-2-23-16-7-11(9-20)3-6-15(16)24-10-17(22)21-14-8-12(18)4-5-13(14)19/h3-8H,2,10H2,1H3,(H,21,22)
InChIKeyALFMWAOXNDWASL-UHFFFAOYSA-N
XLogP3.25
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyano-2-ethoxyphenoxy)-N-(2,3,4-trifluorophenyl)acetamide
CID 7993287
N-(2,5-difluorophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16552755
2-(4-cyano-2-methoxyphenoxy)-N-(2-fluorophenyl)acetamide
CID 2492568
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
[2-(2,5-difluoroanilino)-2-oxoethyl] 2-(3,4-diethoxyphenyl)acetate
CID 71823024
N-(4-tert-butylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993191
2-(4-cyano-2-fluorophenoxy)-N-(2-fluorophenyl)acetamide
CID 103793510
N-(4-acetamido-3-methylphenyl)-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 46421737
3-ethoxy-4-[2-(3-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 8676993
2-(4-cyano-2-ethoxyphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 86925041
2-(2-chloro-4-fluorophenoxy)-N-(2,5-difluorophenyl)acetamide
CID 30273064

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide (CID 7992848) is 2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide is CCOc1cc(C#N)ccc1OCC(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide?
The InChIKey is ALFMWAOXNDWASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3/c1-2-23-16-7-11(9-20)3-6-15(16)24-10-17(22)21-14-8-12(18)4-5-13(14)19/h3-8H,2,10H2,1H3,(H,21,22).
What are the key properties of 2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide?
2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide has a molecular weight of 332.31 g/mol, XLogP of 3.25, 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-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 7992848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).