[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate

C20H21ClFNO4 — CID 9200072

IUPAC[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)NCCc1ccccc1F
InChIInChI=1S/C20H21ClFNO4/c1-20(2,27-16-9-7-15(21)8-10-16)19(25)26-13-18(24)23-12-11-14-5-3-4-6-17(14)22/h3-10H,11-13H2,1-2H3,(H,23,24)
InChIKeyHKZXUHHMKOHMEZ-UHFFFAOYSA-N
MW393.84 g/mol
LogP3.54
Rot. Bonds8

About [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate (PubChem CID 9200072) has the molecular formula C20H21ClFNO4 and a molecular weight of 393.84 g/mol. Its IUPAC name is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
PubChem CID9200072
Molecular FormulaC20H21ClFNO4
Molecular Weight393.84 g/mol
Exact Mass393.11
IUPAC Name[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)NCCc1ccccc1F
InChIInChI=1S/C20H21ClFNO4/c1-20(2,27-16-9-7-15(21)8-10-16)19(25)26-13-18(24)23-12-11-14-5-3-4-6-17(14)22/h3-10H,11-13H2,1-2H3,(H,23,24)
InChIKeyHKZXUHHMKOHMEZ-UHFFFAOYSA-N
XLogP3.54
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.84
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762705
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7951070
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8625292
phenacyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 782046
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762853
methyl 2-[[2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxyacetyl]amino]benzoate
CID 7951075
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762816
N-[2-(2-fluorophenyl)ethyl]propanamide
CID 22380876
2-(4-chlorophenoxy)-N-[(2-fluorophenyl)methyl]-N,2-dimethylpropanamide
CID 52892039
2-(4-chlorophenoxy)-2-methyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide
CID 60603293
2-(4-chloro-3-methylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9289604
2-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 78792118

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The IUPAC name of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate (CID 9200072) is [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate.
What is the SMILES notation for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The canonical SMILES for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate is CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)NCCc1ccccc1F.
What is the InChIKey of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The InChIKey is HKZXUHHMKOHMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO4/c1-20(2,27-16-9-7-15(21)8-10-16)19(25)26-13-18(24)23-12-11-14-5-3-4-6-17(14)22/h3-10H,11-13H2,1-2H3,(H,23,24).
What are the key properties of [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate has a molecular weight of 393.84 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 9200072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).