[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate

C15H16Cl3NO3 — CID 7722473

IUPAC[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate
SMILESO=C(COC(=O)CC1CCCC1)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl3NO3/c16-10-6-11(17)15(12(18)7-10)19-13(20)8-22-14(21)5-9-3-1-2-4-9/h6-7,9H,1-5,8H2,(H,19,20)
InChIKeyATZBOLVBMPMDCB-UHFFFAOYSA-N
MW364.66 g/mol
LogP4.71
Rot. Bonds5

About [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate

[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate (PubChem CID 7722473) has the molecular formula C15H16Cl3NO3 and a molecular weight of 364.66 g/mol. Its IUPAC name is [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate
PubChem CID7722473
Molecular FormulaC15H16Cl3NO3
Molecular Weight364.66 g/mol
Exact Mass363.02
IUPAC Name[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate
SMILESO=C(COC(=O)CC1CCCC1)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl3NO3/c16-10-6-11(17)15(12(18)7-10)19-13(20)8-22-14(21)5-9-3-1-2-4-9/h6-7,9H,1-5,8H2,(H,19,20)
InChIKeyATZBOLVBMPMDCB-UHFFFAOYSA-N
XLogP4.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.66
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2617312
N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide
CID 68711978
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751603
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-cyclohexylacetate
CID 42968314
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate
CID 2617337
[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 7722315
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 4622091
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-(2-chlorophenoxy)acetate
CID 41465862
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclohexylpropanoate
CID 8815659
N-(2-amino-4,6-dichlorophenyl)-3-(cyclopentylmethoxy)propanamide
CID 66321942
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate
CID 35776405
[2-(2,6-dichloroanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 8019688

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate?
The IUPAC name of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate (CID 7722473) is [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate is O=C(COC(=O)CC1CCCC1)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate?
The InChIKey is ATZBOLVBMPMDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl3NO3/c16-10-6-11(17)15(12(18)7-10)19-13(20)8-22-14(21)5-9-3-1-2-4-9/h6-7,9H,1-5,8H2,(H,19,20).
What are the key properties of [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate?
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate has a molecular weight of 364.66 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate is sourced from PubChem (CID 7722473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).