[2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

C13H13Cl2NO4 — CID 2387386

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1Cl)NC1CC1
InChIInChI=1S/C13H13Cl2NO4/c14-8-1-4-11(10(15)5-8)19-7-13(18)20-6-12(17)16-9-2-3-9/h1,4-5,9H,2-3,6-7H2,(H,16,17)
InChIKeyWXLHVWFTFOMLDX-UHFFFAOYSA-N
MW318.16 g/mol
LogP2.19
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

[2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 2387386) has the molecular formula C13H13Cl2NO4 and a molecular weight of 318.16 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID2387386
Molecular FormulaC13H13Cl2NO4
Molecular Weight318.16 g/mol
Exact Mass317.02
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1Cl)NC1CC1
InChIInChI=1S/C13H13Cl2NO4/c14-8-1-4-11(10(15)5-8)19-7-13(18)20-6-12(17)16-9-2-3-9/h1,4-5,9H,2-3,6-7H2,(H,16,17)
InChIKeyWXLHVWFTFOMLDX-UHFFFAOYSA-N
XLogP2.19
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (CID 2387386) is [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is O=C(COC(=O)COc1ccc(Cl)cc1Cl)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is WXLHVWFTFOMLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO4/c14-8-1-4-11(10(15)5-8)19-7-13(18)20-6-12(17)16-9-2-3-9/h1,4-5,9H,2-3,6-7H2,(H,16,17).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 318.16 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 2387386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).