[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate

C15H17ClFNO3 — CID 2617312

IUPAC[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESO=C(COC(=O)CC1CCCC1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFNO3/c16-12-8-11(17)5-6-13(12)18-14(19)9-21-15(20)7-10-3-1-2-4-10/h5-6,8,10H,1-4,7,9H2,(H,18,19)
InChIKeyAYOPOTUQZZPNAA-UHFFFAOYSA-N
MW313.76 g/mol
LogP3.54
Rot. Bonds5

About [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 2617312) has the molecular formula C15H17ClFNO3 and a molecular weight of 313.76 g/mol. Its IUPAC name is [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate
PubChem CID2617312
Molecular FormulaC15H17ClFNO3
Molecular Weight313.76 g/mol
Exact Mass313.09
IUPAC Name[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESO=C(COC(=O)CC1CCCC1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C15H17ClFNO3/c16-12-8-11(17)5-6-13(12)18-14(19)9-21-15(20)7-10-3-1-2-4-10/h5-6,8,10H,1-4,7,9H2,(H,18,19)
InChIKeyAYOPOTUQZZPNAA-UHFFFAOYSA-N
XLogP3.54
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 4239986
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-cyclopentylacetate
CID 2617337
[2-(2,4-dichloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751603
[2-oxo-2-(2,4,6-trichloroanilino)ethyl] 2-cyclopentylacetate
CID 7722473
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-cyclohexylacetate
CID 46794459
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751589
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3971040
N-(2-chloro-4-fluorophenyl)-2-piperidin-3-ylacetamide
CID 62676653
N-(4-amino-2-chlorophenyl)-2-cyclohexylacetamide
CID 28776891
N-(4-amino-2-chlorophenyl)-2-(cyclopentylmethoxy)acetamide
CID 66324082
[2-(2-chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 4622091
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
CID 30401050

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate (CID 2617312) is [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate is O=C(COC(=O)CC1CCCC1)Nc1ccc(F)cc1Cl.
What is the InChIKey of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is AYOPOTUQZZPNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNO3/c16-12-8-11(17)5-6-13(12)18-14(19)9-21-15(20)7-10-3-1-2-4-10/h5-6,8,10H,1-4,7,9H2,(H,18,19).
What are the key properties of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate?
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 313.76 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 2617312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).