ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate

C13H15ClN2O2 — CID 63092304

IUPACethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate
SMILESCCOC(=O)CN(CC)c1ccc(C#N)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-3-16(9-13(17)18-4-2)12-6-5-10(8-15)7-11(12)14/h5-7H,3-4,9H2,1-2H3
InChIKeySISSXAYGJUPKRL-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.60
Rot. Bonds5

About ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate

ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate (PubChem CID 63092304) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate
PubChem CID63092304
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Nameethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate
SMILESCCOC(=O)CN(CC)c1ccc(C#N)cc1Cl
InChIInChI=1S/C13H15ClN2O2/c1-3-16(9-13(17)18-4-2)12-6-5-10(8-15)7-11(12)14/h5-7H,3-4,9H2,1-2H3
InChIKeySISSXAYGJUPKRL-UHFFFAOYSA-N
XLogP2.60
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate
CID 55031101
2-(2-chloro-4-cyano-N-ethylanilino)acetamide
CID 103102412
ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate
CID 63092793
3-chloro-4-[2-cyanoethyl(ethyl)amino]benzonitrile
CID 55220672
N-(2-chloro-4-cyanophenyl)-N-methylpropanamide
CID 44597129
ethyl 2-[2-bromo-4-cyano-N-(2-methoxyethyl)anilino]acetate
CID 82798516
ethyl 2-(2-chloro-4-cyanophenyl)sulfanylacetate
CID 63088722
methyl 2-(2-chloro-4-cyano-N-propan-2-ylanilino)acetate
CID 63092627
ethyl 2-[(2-chloro-4-cyanophenyl)methylsulfonyl]acetate
CID 102670500
ethyl 2-(5-cyano-N-methyl-2-nitroanilino)acetate
CID 104714079
ethyl 2-(3-chloro-2-cyano-N-methylanilino)acetate
CID 62496387
ethyl 2-(5-chloro-2-cyano-N-propylanilino)acetate
CID 63081094

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate?
The IUPAC name of ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate (CID 63092304) is ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate.
What is the SMILES notation for ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate?
The canonical SMILES for ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate is CCOC(=O)CN(CC)c1ccc(C#N)cc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate?
The InChIKey is SISSXAYGJUPKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-16(9-13(17)18-4-2)12-6-5-10(8-15)7-11(12)14/h5-7H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate?
ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate has a molecular weight of 266.73 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate is sourced from PubChem (CID 63092304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).