[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate

C17H21F2NO4 — CID 2395364

IUPAC[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H21F2NO4/c18-17(19)24-14-8-4-3-7-13(14)20-15(21)11-23-16(22)10-9-12-5-1-2-6-12/h3-4,7-8,12,17H,1-2,5-6,9-11H2,(H,20,21)
InChIKeyGQBBJIFFKYCTEN-UHFFFAOYSA-N
MW341.35 g/mol
LogP3.74
Rot. Bonds8

About [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate

[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 2395364) has the molecular formula C17H21F2NO4 and a molecular weight of 341.35 g/mol. Its IUPAC name is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID2395364
Molecular FormulaC17H21F2NO4
Molecular Weight341.35 g/mol
Exact Mass341.14
IUPAC Name[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1ccccc1OC(F)F
InChIInChI=1S/C17H21F2NO4/c18-17(19)24-14-8-4-3-7-13(14)20-15(21)11-23-16(22)10-9-12-5-1-2-6-12/h3-4,7-8,12,17H,1-2,5-6,9-11H2,(H,20,21)
InChIKeyGQBBJIFFKYCTEN-UHFFFAOYSA-N
XLogP3.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-Methoxyanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2353640
[2-(4-Methoxyanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2424612
[2-(5-Chloro-2-methoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2429712
[(4-Fluorophenyl)carbamoyl]methyl 2-(4-methoxyphenyl)acetate
CID 2335014
2-[3-[[4-(Trifluoromethyl)phenyl]acetylamino]-4-methoxybenzyl]butyric acid
CID 10136188
N-hydroxy-6-(3-oxo-5,12-dioxa-2-azabicyclo[11.4.0]heptadeca-1(17),13,15-trien-4-yl)hexanamide
CID 25066356
N-hydroxy-6-(3-oxo-5,13-dioxa-2-azabicyclo[12.4.0]octadeca-1(18),14,16-trien-4-yl)hexanamide
CID 25066547
[2-(2-Methoxy-5-methylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2086144
[2-[4-(Difluoromethoxy)anilino]-2-oxoethyl] butanoate
CID 2358727
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 2363104
[2-[2-(Difluoromethoxy)anilino]-2-oxoethyl] 2-methoxybenzoate
CID 2397909
[2-[4-(Difluoromethoxy)anilino]-2-oxoethyl] 3-cyclohexylpropanoate
CID 2409686

Frequently Asked Questions

What is the IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate (CID 2395364) is [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate is O=C(COC(=O)CCC1CCCC1)Nc1ccccc1OC(F)F.
What is the InChIKey of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is GQBBJIFFKYCTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO4/c18-17(19)24-14-8-4-3-7-13(14)20-15(21)11-23-16(22)10-9-12-5-1-2-6-12/h3-4,7-8,12,17H,1-2,5-6,9-11H2,(H,20,21).
What are the key properties of [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate?
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 341.35 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-cyclopentylpropanoate is sourced from PubChem (CID 2395364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).