[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate

C16H20FNO3 — CID 2398836

IUPAC[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCc1ccc(NC(=O)COC(=O)CC2CCCC2)cc1F
InChIInChI=1S/C16H20FNO3/c1-11-6-7-13(9-14(11)17)18-15(19)10-21-16(20)8-12-4-2-3-5-12/h6-7,9,12H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyLZNVATTUZZHXIG-UHFFFAOYSA-N
MW293.34 g/mol
LogP3.20
Rot. Bonds5

About [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 2398836) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate
PubChem CID2398836
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate
SMILESCc1ccc(NC(=O)COC(=O)CC2CCCC2)cc1F
InChIInChI=1S/C16H20FNO3/c1-11-6-7-13(9-14(11)17)18-15(19)10-21-16(20)8-12-4-2-3-5-12/h6-7,9,12H,2-5,8,10H2,1H3,(H,18,19)
InChIKeyLZNVATTUZZHXIG-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.20
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-(4-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2380175
[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2380295
[2-(4-Carbamoylanilino)-2-oxoethyl] 3-cyclohexylpropanoate
CID 2416940
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(2-fluorophenyl)acetate
CID 2425033
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2431096
[2-(2-Acetylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2511241
[2-(4-Carbamoylanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 3576629
[2-(2-Fluoroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4230491
[2-Oxo-2-(4-propan-2-ylanilino)ethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4348741
[2-(3,4-Dimethylanilino)-2-oxoethyl] 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate
CID 4782550

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate (CID 2398836) is [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate is Cc1ccc(NC(=O)COC(=O)CC2CCCC2)cc1F.
What is the InChIKey of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is LZNVATTUZZHXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11-6-7-13(9-14(11)17)18-15(19)10-21-16(20)8-12-4-2-3-5-12/h6-7,9,12H,2-5,8,10H2,1H3,(H,18,19).
What are the key properties of [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate?
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 293.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 2398836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).