ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate

C19H19Cl2NO4 — CID 55706670

IUPACethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)CCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C19H19Cl2NO4/c1-2-25-18(24)12-26-15-7-4-6-14(11-15)22-17(23)10-9-13-5-3-8-16(20)19(13)21/h3-8,11H,2,9-10,12H2,1H3,(H,22,23)
InChIKeyAJBLTHRJWIVUFM-UHFFFAOYSA-N
MW396.27 g/mol
LogP4.51
Rot. Bonds8

About ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate

ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate (PubChem CID 55706670) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate
PubChem CID55706670
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Nameethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)CCc2cccc(Cl)c2Cl)c1
InChIInChI=1S/C19H19Cl2NO4/c1-2-25-18(24)12-26-15-7-4-6-14(11-15)22-17(23)10-9-13-5-3-8-16(20)19(13)21/h3-8,11H,2,9-10,12H2,1H3,(H,22,23)
InChIKeyAJBLTHRJWIVUFM-UHFFFAOYSA-N
XLogP4.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(2,3-dichlorophenyl)propanamide
CID 38939684
ethyl 2-[3-[3-(1H-indol-3-yl)propanoylamino]phenoxy]acetate
CID 39269339
ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
CID 39269822
(2-ethoxy-2-oxoethyl) 3-(2,3-dichlorophenyl)propanoate
CID 78877457
3-(2-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]propanamide
CID 17179095
ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate
CID 39269639
3-(2,3-dichlorophenyl)-N-phenylpropanamide
CID 38885504
ethyl 2-[3-[3-(5-chloro-2-methoxyanilino)propanoylamino]phenoxy]acetate
CID 47824982
ethyl 7-(3-ethoxyanilino)-7-oxoheptanoate
CID 139378123
ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate
CID 60970804
ethyl 2-[3-(but-2-ynoylamino)phenoxy]acetate
CID 107991028
ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
CID 78917130

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate (CID 55706670) is ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)CCc2cccc(Cl)c2Cl)c1.
What is the InChIKey of ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate?
The InChIKey is AJBLTHRJWIVUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c1-2-25-18(24)12-26-15-7-4-6-14(11-15)22-17(23)10-9-13-5-3-8-16(20)19(13)21/h3-8,11H,2,9-10,12H2,1H3,(H,22,23).
What are the key properties of ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate?
ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate has a molecular weight of 396.27 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[3-(2,3-dichlorophenyl)propanoylamino]phenoxy]acetate is sourced from PubChem (CID 55706670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).