2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide

C11H11FN2O2 — CID 168522527

IUPAC2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide
SMILESCCOc1cccc(F)c1NC(=O)CC#N
InChIInChI=1S/C11H11FN2O2/c1-2-16-9-5-3-4-8(12)11(9)14-10(15)6-7-13/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyPLXVHIWAFHAIHO-UHFFFAOYSA-N
MW222.22 g/mol
LogP2.08
Rot. Bonds4

About 2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide

2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide (PubChem CID 168522527) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is 2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide
PubChem CID168522527
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Name2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide
SMILESCCOc1cccc(F)c1NC(=O)CC#N
InChIInChI=1S/C11H11FN2O2/c1-2-16-9-5-3-4-8(12)11(9)14-10(15)6-7-13/h3-5H,2,6H2,1H3,(H,14,15)
InChIKeyPLXVHIWAFHAIHO-UHFFFAOYSA-N
XLogP2.08
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2,6-difluorophenyl)acetamide
CID 13174846
methyl 2-[(2-cyanoacetyl)amino]-3-fluorobenzoate
CID 83294015
1-(2,6-difluorophenyl)-3-(2-ethoxyphenyl)urea
CID 108992038
2-cyano-N-(2,6-diethylphenyl)acetamide
CID 2380490
[2-(2,6-difluoroanilino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 9272263
3-(2,6-difluoroanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039796
2-(2-cyanophenoxy)-N-(2,6-difluorophenyl)acetamide
CID 2565570
N-[3-[(2-cyanoacetyl)amino]phenyl]-3,4,5-triethoxybenzamide
CID 108922676
2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide
CID 108537298
2-cyano-N-(2,6-difluoro-4-methylphenyl)acetamide
CID 168521532
2-cyano-N-[3-[[[2-(2-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923951
2-chloro-N-(2-fluoro-6-methoxyphenyl)acetamide
CID 166415098

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide?
The IUPAC name of 2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide (CID 168522527) is 2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide?
The canonical SMILES for 2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide is CCOc1cccc(F)c1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide?
The InChIKey is PLXVHIWAFHAIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2/c1-2-16-9-5-3-4-8(12)11(9)14-10(15)6-7-13/h3-5H,2,6H2,1H3,(H,14,15).
What are the key properties of 2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide?
2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide has a molecular weight of 222.22 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-ethoxy-6-fluorophenyl)acetamide is sourced from PubChem (CID 168522527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).