[2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate

C16H19Cl2NO3 — CID 4801740

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate
SMILESO=C(COC(=O)CC1CCCCC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H19Cl2NO3/c17-12-7-4-8-13(18)16(12)19-14(20)10-22-15(21)9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,19,20)
InChIKeyFWVSAKQPDJMFGZ-UHFFFAOYSA-N
MW344.24 g/mol
LogP4.45
Rot. Bonds5

About [2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate

[2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate (PubChem CID 4801740) has the molecular formula C16H19Cl2NO3 and a molecular weight of 344.24 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate
PubChem CID4801740
Molecular FormulaC16H19Cl2NO3
Molecular Weight344.24 g/mol
Exact Mass343.07
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate
SMILESO=C(COC(=O)CC1CCCCC1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H19Cl2NO3/c17-12-7-4-8-13(18)16(12)19-14(20)10-22-15(21)9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,19,20)
InChIKeyFWVSAKQPDJMFGZ-UHFFFAOYSA-N
XLogP4.45
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-Dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2355464
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2431096
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4348199
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2335922
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2355202
[2-(2,6-Difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2359467
[2-(4-Chloroanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2380251
2-[[Cyclohexyl(oxo)methyl]amino]acetic acid [2-(2-chloroanilino)-2-oxoethyl] ester
CID 2547325
[2-(2,6-Dichloroanilino)-2-oxoethyl] 2-phenylbutanoate
CID 3484353
[2-(2,5-Dichloroanilino)-2-oxoethyl] 2-phenylbutanoate
CID 4345007
[2-(2-Fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2344661
[2-(2-Chloro-4-methylanilino)-2-oxoethyl] 3-phenylpropanoate
CID 2380699

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate (CID 4801740) is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate is O=C(COC(=O)CC1CCCCC1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate?
The InChIKey is FWVSAKQPDJMFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2NO3/c17-12-7-4-8-13(18)16(12)19-14(20)10-22-15(21)9-11-5-2-1-3-6-11/h4,7-8,11H,1-3,5-6,9-10H2,(H,19,20).
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate?
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate has a molecular weight of 344.24 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate is sourced from PubChem (CID 4801740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).