[2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate

C15H18ClNO3 — CID 2380251

IUPAC[2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESO=C(COC(=O)CC1CCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c16-12-5-7-13(8-6-12)17-14(18)10-20-15(19)9-11-3-1-2-4-11/h5-8,11H,1-4,9-10H2,(H,17,18)
InChIKeyVLKISCQFLVDYDS-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.40
Rot. Bonds5

About [2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate

[2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 2380251) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is [2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate
PubChem CID2380251
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Name[2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESO=C(COC(=O)CC1CCCC1)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO3/c16-12-5-7-13(8-6-12)17-14(18)10-20-15(19)9-11-3-1-2-4-11/h5-8,11H,1-4,9-10H2,(H,17,18)
InChIKeyVLKISCQFLVDYDS-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-Fluorophenyl)carbamoyl]methyl 3-cyclopentylpropanoate
CID 2338160
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] 2-cyclopentylacetate
CID 2343268
[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-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2477227
[2-(2,6-Dichloroanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 4801740
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-cyclopentylpropanoate
CID 24686146
[2-(2-Fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2344661
[2-(4-Ethylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2352281

Frequently Asked Questions

What is the IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate (CID 2380251) is [2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate is O=C(COC(=O)CC1CCCC1)Nc1ccc(Cl)cc1.
What is the InChIKey of [2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is VLKISCQFLVDYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c16-12-5-7-13(8-6-12)17-14(18)10-20-15(19)9-11-3-1-2-4-11/h5-8,11H,1-4,9-10H2,(H,17,18).
What are the key properties of [2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate?
[2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 295.77 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chloroanilino)-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 2380251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).