[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate

C16H19ClFNO3 — CID 2431096

IUPAC[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H19ClFNO3/c17-13-9-12(18)6-7-14(13)19-15(20)10-22-16(21)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,19,20)
InChIKeyMHUCSRBEYANDDP-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.93
Rot. Bonds6

About [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate

[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate (PubChem CID 2431096) has the molecular formula C16H19ClFNO3 and a molecular weight of 327.78 g/mol. Its IUPAC name is [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate.

Molecular Properties

Compound Name[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
PubChem CID2431096
Molecular FormulaC16H19ClFNO3
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Name[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
SMILESO=C(COC(=O)CCC1CCCC1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C16H19ClFNO3/c17-13-9-12(18)6-7-14(13)19-15(20)10-22-16(21)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,19,20)
InChIKeyMHUCSRBEYANDDP-UHFFFAOYSA-N
XLogP3.93
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-Fluorophenyl)carbamoyl]methyl 3-cyclopentylpropanoate
CID 2338160
[2-(2,3-Dichloroanilino)-2-oxoethyl] cyclopentanecarboxylate
CID 2355464
[2-(3-Chloro-4-fluoroanilino)-2-oxoethyl] 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 3966473
[2-(2-Fluoroanilino)-2-oxoethyl] bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 4230491
[2-(2-Chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 4348199
1-(4-Fluoroanilino)-1-oxopropan-2-yl cyclohexylacetate
CID 24979310
[2-(5-Chloro-2-methylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2335922
[2-(4-Chloro-2-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2355202
[2-(2,6-Difluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2359467
[2-(4-Chloroanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 2380251
2-[[Cyclohexyl(oxo)methyl]amino]acetic acid [2-(2-chloroanilino)-2-oxoethyl] ester
CID 2547325
[2-(2,6-Dichloroanilino)-2-oxoethyl] 2-phenylbutanoate
CID 3484353

Frequently Asked Questions

What is the IUPAC name of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The IUPAC name of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate (CID 2431096) is [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate.
What is the SMILES notation for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The canonical SMILES for [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate is O=C(COC(=O)CCC1CCCC1)Nc1ccc(F)cc1Cl.
What is the InChIKey of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
The InChIKey is MHUCSRBEYANDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO3/c17-13-9-12(18)6-7-14(13)19-15(20)10-22-16(21)8-5-11-3-1-2-4-11/h6-7,9,11H,1-5,8,10H2,(H,19,20).
What are the key properties of [2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate?
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 3-cyclopentylpropanoate has a molecular weight of 327.78 g/mol, XLogP of 3.93, 6 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] 3-cyclopentylpropanoate is sourced from PubChem (CID 2431096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).