[2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate

C14H15Cl2NO3 — CID 8020275

IUPAC[2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-10-5-6-11(16)12(7-10)17-13(18)8-20-14(19)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,17,18)
InChIKeyVSPAAFXLQPXQJT-UHFFFAOYSA-N
MW316.18 g/mol
LogP3.67
Rot. Bonds4

About [2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate

[2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate (PubChem CID 8020275) has the molecular formula C14H15Cl2NO3 and a molecular weight of 316.18 g/mol. Its IUPAC name is [2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate.

Molecular Properties

Compound Name[2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
PubChem CID8020275
Molecular FormulaC14H15Cl2NO3
Molecular Weight316.18 g/mol
Exact Mass315.04
IUPAC Name[2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
SMILESO=C(COC(=O)C1CCCC1)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H15Cl2NO3/c15-10-5-6-11(16)12(7-10)17-13(18)8-20-14(19)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,17,18)
InChIKeyVSPAAFXLQPXQJT-UHFFFAOYSA-N
XLogP3.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-dichloroanilino)-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7932637
[2-(5-chloro-2-methylanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2356187
[2-(2-chloroanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2495206
[2-(5-chloro-2-nitroanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717254
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7940037
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2352785
[2-(2,5-dichloroanilino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate
CID 2435758
2-cyclopentyl-N-(2,5-dichlorophenyl)acetamide
CID 7733768
[2-(2,6-dichloroanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 8019688
[2-[2-(4-chlorophenyl)sulfanylanilino]-2-oxoethyl] cyclopentanecarboxylate
CID 23908442
[2-(2,5-dichloroanilino)-2-oxoethyl] 4-oxopentanoate
CID 8625714
[2-(2,5-dichloroanilino)-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916816

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate?
The IUPAC name of [2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate (CID 8020275) is [2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate.
What is the SMILES notation for [2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate?
The canonical SMILES for [2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate is O=C(COC(=O)C1CCCC1)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of [2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate?
The InChIKey is VSPAAFXLQPXQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO3/c15-10-5-6-11(16)12(7-10)17-13(18)8-20-14(19)9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H,17,18).
What are the key properties of [2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate?
[2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate has a molecular weight of 316.18 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate is sourced from PubChem (CID 8020275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).