[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate

C20H20ClFN2O3 — CID 4786922

IUPAC[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(Cc1c(F)cccc1Cl)OCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H20ClFN2O3/c21-17-7-4-8-18(22)16(17)13-20(26)27-14-19(25)24-11-9-23(10-12-24)15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyGJCSTOQBNCVRTE-UHFFFAOYSA-N
MW390.84 g/mol
LogP2.91
Rot. Bonds5

About [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate

[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate (PubChem CID 4786922) has the molecular formula C20H20ClFN2O3 and a molecular weight of 390.84 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
PubChem CID4786922
Molecular FormulaC20H20ClFN2O3
Molecular Weight390.84 g/mol
Exact Mass390.11
IUPAC Name[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate
SMILESO=C(Cc1c(F)cccc1Cl)OCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H20ClFN2O3/c21-17-7-4-8-18(22)16(17)13-20(26)27-14-19(25)24-11-9-23(10-12-24)15-5-2-1-3-6-15/h1-8H,9-14H2
InChIKeyGJCSTOQBNCVRTE-UHFFFAOYSA-N
XLogP2.91
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.84
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Benzyloxy)-1-(4-(2-chloro-4-fluorophenyl)piperazin-1-yl)ethanone
CID 24763201
2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl 3-chlorobenzoate
CID 978516
[2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 2621380
2-[4-(4-Fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
CID 2930820
2-[4-(2-Fluorophenyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
CID 2932443
[2-(3-Fluoroanilino)-2-oxoethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 4260705
[2-[[2-(4-Fluoroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 24686159
1-(4-(2-(1-Amino-2-ethoxyethyl)-4-fluorophenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)propan-1-one
CID 44415429
2-(4-Phenylpiperazin-1-yl)ethyl 1-(4-chlorophenyl)cyclopentane-1-carboxylate;hydrochloride
CID 45264271
[2-(2-Fluoroanilino)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 2344661
[2-(2,3-Dihydroindol-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 4790301
[(4-Fluorophenyl)carbamoyl]methyl 2-(4-chlorophenyl)acetate
CID 2521010

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The IUPAC name of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate (CID 4786922) is [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate.
What is the SMILES notation for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The canonical SMILES for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate is O=C(Cc1c(F)cccc1Cl)OCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
The InChIKey is GJCSTOQBNCVRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O3/c21-17-7-4-8-18(22)16(17)13-20(26)27-14-19(25)24-11-9-23(10-12-24)15-5-2-1-3-6-15/h1-8H,9-14H2.
What are the key properties of [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate?
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate has a molecular weight of 390.84 g/mol, XLogP of 2.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(2-chloro-6-fluorophenyl)acetate is sourced from PubChem (CID 4786922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).