[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate

C13H11ClN2O3 — CID 2352785

IUPAC[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESN#Cc1ccc(Cl)cc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C13H11ClN2O3/c14-10-4-3-9(6-15)11(5-10)16-12(17)7-19-13(18)8-1-2-8/h3-5,8H,1-2,7H2,(H,16,17)
InChIKeyRGYJYFZPIHYNHD-UHFFFAOYSA-N
MW278.69 g/mol
LogP2.10
Rot. Bonds4

About [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate

[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 2352785) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.69 g/mol. Its IUPAC name is [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID2352785
Molecular FormulaC13H11ClN2O3
Molecular Weight278.69 g/mol
Exact Mass278.05
IUPAC Name[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate
SMILESN#Cc1ccc(Cl)cc1NC(=O)COC(=O)C1CC1
InChIInChI=1S/C13H11ClN2O3/c14-10-4-3-9(6-15)11(5-10)16-12(17)7-19-13(18)8-1-2-8/h3-5,8H,1-2,7H2,(H,16,17)
InChIKeyRGYJYFZPIHYNHD-UHFFFAOYSA-N
XLogP2.10
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.69
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 2353626
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065408
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564022
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] benzoate
CID 2517138
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18313529
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717254
[2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 8020275
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3-phenylpropanoate
CID 4801753
[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2356187
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 4-phenylbenzoate
CID 4858479
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 4-formylbenzoate
CID 2504530

Frequently Asked Questions

What is the IUPAC name of [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate (CID 2352785) is [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate is N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C1CC1.
What is the InChIKey of [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is RGYJYFZPIHYNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-10-4-3-9(6-15)11(5-10)16-12(17)7-19-13(18)8-1-2-8/h3-5,8H,1-2,7H2,(H,16,17).
What are the key properties of [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate?
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 278.69 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 2352785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).