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

C14H15ClN2O2 — CID 63092793

IUPACethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(C#N)cc1Cl)C1CC1
InChIInChI=1S/C14H15ClN2O2/c1-2-19-14(18)9-17(11-4-5-11)13-6-3-10(8-16)7-12(13)15/h3,6-7,11H,2,4-5,9H2,1H3
InChIKeyKUNJJOJJOODFTA-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.74
Rot. Bonds5

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

ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate (PubChem CID 63092793) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate
PubChem CID63092793
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Nameethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate
SMILESCCOC(=O)CN(c1ccc(C#N)cc1Cl)C1CC1
InChIInChI=1S/C14H15ClN2O2/c1-2-19-14(18)9-17(11-4-5-11)13-6-3-10(8-16)7-12(13)15/h3,6-7,11H,2,4-5,9H2,1H3
InChIKeyKUNJJOJJOODFTA-UHFFFAOYSA-N
XLogP2.74
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(2-chloro-4-cyano-N-ethylanilino)acetate
CID 63092304
ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate
CID 107927296
ethyl 2-(4-cyano-N-cyclopropyl-2,6-difluoroanilino)acetate
CID 81285843
ethyl 2-(2-cyano-N-cyclopropyl-3-fluoroanilino)acetate
CID 62005740
ethyl 2-(4-cyano-N-ethyl-2-methylanilino)acetate
CID 55031101
ethyl 2-(3-bromo-4-cyano-N-cyclopropylanilino)acetate
CID 107276176
N-(2-chloro-4-cyanophenyl)-N-methylpropanamide
CID 44597129
2-(2-chloro-4-cyano-N-ethylanilino)acetamide
CID 103102412
ethyl 2-[(6-cyano-2-pyridinyl)-cyclopropylamino]acetate
CID 64587416
ethyl 2-(2-chloro-4-cyanophenyl)sulfanylacetate
CID 63088722
ethyl 2-[(2-chloro-4-cyanophenyl)methylsulfonyl]acetate
CID 102670500
methyl 2-(2-chloro-4-cyano-N-propan-2-ylanilino)acetate
CID 63092627

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate?
The IUPAC name of ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate (CID 63092793) is ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate.
What is the SMILES notation for ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate?
The canonical SMILES for ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate is CCOC(=O)CN(c1ccc(C#N)cc1Cl)C1CC1.
What is the InChIKey of ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate?
The InChIKey is KUNJJOJJOODFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-2-19-14(18)9-17(11-4-5-11)13-6-3-10(8-16)7-12(13)15/h3,6-7,11H,2,4-5,9H2,1H3.
What are the key properties of ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate?
ethyl 2-(2-chloro-4-cyano-N-cyclopropylanilino)acetate has a molecular weight of 278.74 g/mol, XLogP of 2.74, 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-cyclopropylanilino)acetate is sourced from PubChem (CID 63092793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).