2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

C20H21FN2O3 — CID 18202482

IUPAC2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)N(CC)Cc1cccc(F)c1
InChIInChI=1S/C20H21FN2O3/c1-3-23(13-16-6-5-7-17(21)10-16)20(24)14-26-18-9-8-15(12-22)11-19(18)25-4-2/h5-11H,3-4,13-14H2,1-2H3
InChIKeyNVBGTTKHAKSNSK-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.52
Rot. Bonds8

About 2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide

2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (PubChem CID 18202482) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
PubChem CID18202482
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)N(CC)Cc1cccc(F)c1
InChIInChI=1S/C20H21FN2O3/c1-3-23(13-16-6-5-7-17(21)10-16)20(24)14-26-18-9-8-15(12-22)11-19(18)25-4-2/h5-11H,3-4,13-14H2,1-2H3
InChIKeyNVBGTTKHAKSNSK-UHFFFAOYSA-N
XLogP3.52
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-4-cyanophenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 8977275
N,N-dibenzyl-2-(4-cyano-2-ethoxyphenoxy)acetamide
CID 7993362
3-ethoxy-4-[2-(3-fluorophenyl)-2-oxoethoxy]benzonitrile
CID 8676993
3,4-diethoxy-N-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]benzamide
CID 55396470
N-benzyl-2-(3-cyanophenoxy)-N-ethylacetamide
CID 7964477
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-cyano-2-ethoxyphenoxy)-N-methylacetamide
CID 38551566
benzyl 2-(4-cyano-2-ethoxyphenoxy)acetate
CID 27725620
2-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide
CID 9317159
3-ethoxy-4-phenacyloxybenzonitrile
CID 7993363
2-(4-cyano-2-ethoxyphenoxy)-N-(2,5-difluorophenyl)acetamide
CID 7992848
2-(4-cyano-2-ethoxyphenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylacetamide
CID 39428702
3-ethoxy-N-ethyl-N-[(3-fluorophenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46588810

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide (CID 18202482) is 2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is CCOc1cc(C#N)ccc1OCC(=O)N(CC)Cc1cccc(F)c1.
What is the InChIKey of 2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
The InChIKey is NVBGTTKHAKSNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-3-23(13-16-6-5-7-17(21)10-16)20(24)14-26-18-9-8-15(12-22)11-19(18)25-4-2/h5-11H,3-4,13-14H2,1-2H3.
What are the key properties of 2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide?
2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide has a molecular weight of 356.40 g/mol, XLogP of 3.52, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-ethoxyphenoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 18202482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).