ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate

C14H17FN2O3 — CID 115367316

IUPACethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate
SMILESCCOC(=O)CN(CCOC)c1ccc(C#N)c(F)c1
InChIInChI=1S/C14H17FN2O3/c1-3-20-14(18)10-17(6-7-19-2)12-5-4-11(9-16)13(15)8-12/h4-5,8H,3,6-7,10H2,1-2H3
InChIKeyUIAVYOLIVOWOKJ-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.71
Rot. Bonds7

About ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate

ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate (PubChem CID 115367316) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate
PubChem CID115367316
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Nameethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate
SMILESCCOC(=O)CN(CCOC)c1ccc(C#N)c(F)c1
InChIInChI=1S/C14H17FN2O3/c1-3-20-14(18)10-17(6-7-19-2)12-5-4-11(9-16)13(15)8-12/h4-5,8H,3,6-7,10H2,1-2H3
InChIKeyUIAVYOLIVOWOKJ-UHFFFAOYSA-N
XLogP1.71
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate
CID 81281990
ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate
CID 63093411
ethyl 2-[3-cyano-5-fluoro-N-(2-methoxyethyl)anilino]acetate
CID 102815800
4-[bis(2-ethoxyethyl)amino]-2-fluorobenzonitrile
CID 82966288
2-(N-(2-amino-2-oxoethyl)-4-cyano-3-fluoroanilino)acetamide
CID 115367475
ethyl 2-[2-bromo-4-cyano-N-(2-methoxyethyl)anilino]acetate
CID 82798516
4-(dipropylamino)-2-fluorobenzonitrile
CID 115366969
ethyl 2-(5-chloro-2-cyano-N-propylanilino)acetate
CID 63081094
ethyl 2-(4-cyano-N,3-dimethylanilino)acetate
CID 81275854
ethyl 2-(4-carbamothioyl-3-fluoro-N-propylanilino)acetate
CID 115368159
2-fluoro-4-[1-methoxypropan-2-yl(methyl)amino]benzonitrile
CID 115367259
2-(4-cyano-N-ethyl-3-fluoroanilino)-N-propan-2-ylacetamide
CID 115367320

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate?
The IUPAC name of ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate (CID 115367316) is ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate.
What is the SMILES notation for ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate?
The canonical SMILES for ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate is CCOC(=O)CN(CCOC)c1ccc(C#N)c(F)c1.
What is the InChIKey of ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate?
The InChIKey is UIAVYOLIVOWOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-3-20-14(18)10-17(6-7-19-2)12-5-4-11(9-16)13(15)8-12/h4-5,8H,3,6-7,10H2,1-2H3.
What are the key properties of ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate?
ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate has a molecular weight of 280.30 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate is sourced from PubChem (CID 115367316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).