ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate

C14H17ClN2O3 — CID 63093411

IUPACethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate
SMILESCCOC(=O)CN(CCOC)c1cc(Cl)ccc1C#N
InChIInChI=1S/C14H17ClN2O3/c1-3-20-14(18)10-17(6-7-19-2)13-8-12(15)5-4-11(13)9-16/h4-5,8H,3,6-7,10H2,1-2H3
InChIKeyHETLCVKCBUEYGM-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.23
Rot. Bonds7

About ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate

ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate (PubChem CID 63093411) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate
PubChem CID63093411
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Nameethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate
SMILESCCOC(=O)CN(CCOC)c1cc(Cl)ccc1C#N
InChIInChI=1S/C14H17ClN2O3/c1-3-20-14(18)10-17(6-7-19-2)13-8-12(15)5-4-11(13)9-16/h4-5,8H,3,6-7,10H2,1-2H3
InChIKeyHETLCVKCBUEYGM-UHFFFAOYSA-N
XLogP2.23
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(5-chloro-2-cyano-N-propylanilino)acetate
CID 63081094
ethyl 2-[4-cyano-3-fluoro-N-(2-methoxyethyl)anilino]acetate
CID 115367316
ethyl 2-[4-cyano-N-(2-methoxyethyl)-3-methylanilino]acetate
CID 81281990
ethyl 2-[2-bromo-4-cyano-N-(2-methoxyethyl)anilino]acetate
CID 82798516
4-chloro-2-[2-ethoxyethyl(ethyl)amino]benzonitrile
CID 55226350
2-(5-chloro-2-cyano-N-ethylanilino)-N,N-dimethylacetamide
CID 55181966
4-chloro-2-[2-methoxyethyl(propan-2-yl)amino]benzonitrile
CID 82947935
ethyl 2-(5-chloro-2-nitro-N-propylanilino)acetate
CID 115472006
3-(5-chloro-2-cyano-N-ethylanilino)propanoic acid
CID 55181834
ethyl 2-[3-cyano-5-fluoro-N-(2-methoxyethyl)anilino]acetate
CID 102815800
4-chloro-2-(dibutylamino)benzonitrile
CID 63510927
ethyl 2-(5-bromo-2-cyano-N-methylanilino)acetate
CID 114901626

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate?
The IUPAC name of ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate (CID 63093411) is ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate.
What is the SMILES notation for ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate?
The canonical SMILES for ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate is CCOC(=O)CN(CCOC)c1cc(Cl)ccc1C#N.
What is the InChIKey of ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate?
The InChIKey is HETLCVKCBUEYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-3-20-14(18)10-17(6-7-19-2)13-8-12(15)5-4-11(13)9-16/h4-5,8H,3,6-7,10H2,1-2H3.
What are the key properties of ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate?
ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate has a molecular weight of 296.75 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-chloro-2-cyano-N-(2-methoxyethyl)anilino]acetate is sourced from PubChem (CID 63093411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).