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

C13H13Cl2NO3 — CID 2365140

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1Cl)NC1CC1
InChIInChI=1S/C13H13Cl2NO3/c14-9-2-1-8(11(15)6-9)5-13(18)19-7-12(17)16-10-3-4-10/h1-2,6,10H,3-5,7H2,(H,16,17)
InChIKeyNASUFMBVUOOQNG-UHFFFAOYSA-N
MW302.16 g/mol
LogP2.36
Rot. Bonds5

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

[2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (PubChem CID 2365140) has the molecular formula C13H13Cl2NO3 and a molecular weight of 302.16 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
PubChem CID2365140
Molecular FormulaC13H13Cl2NO3
Molecular Weight302.16 g/mol
Exact Mass301.03
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
SMILESO=C(COC(=O)Cc1ccc(Cl)cc1Cl)NC1CC1
InChIInChI=1S/C13H13Cl2NO3/c14-9-2-1-8(11(15)6-9)5-13(18)19-7-12(17)16-10-3-4-10/h1-2,6,10H,3-5,7H2,(H,16,17)
InChIKeyNASUFMBVUOOQNG-UHFFFAOYSA-N
XLogP2.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate (CID 2365140) is [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is O=C(COC(=O)Cc1ccc(Cl)cc1Cl)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
The InChIKey is NASUFMBVUOOQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO3/c14-9-2-1-8(11(15)6-9)5-13(18)19-7-12(17)16-10-3-4-10/h1-2,6,10H,3-5,7H2,(H,16,17).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate has a molecular weight of 302.16 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 2365140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).