Methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate

Name: Methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₇Cl₂NO₅ — CID 55709148

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACmethyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate

SMILESCOC(=O)COc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1

InChIInChI=1S/C18H17Cl2NO5/c1-11(26-16-8-3-12(19)9-15(16)20)18(23)21-13-4-6-14(7-5-13)25-10-17(22)24-2/h3-9,11H,10H2,1-2H3,(H,21,23)

InChIKeyNMJIPMWAWJOXIJ-UHFFFAOYSA-N

MW398.24 g/mol

LogP3.95

Rot. Bonds7

About Methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate

Methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate (PubChem CID 55709148) has the molecular formula C₁₈H₁₇Cl₂NO₅ and a molecular weight of 398.24 g/mol. Its IUPAC name is methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate.

Molecular Properties

Compound Name	Methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate
PubChem CID	55709148
Molecular Formula	C₁₈H₁₇Cl₂NO₅
Molecular Weight	398.24 g/mol
Exact Mass	397.05
IUPAC Name	methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate
SMILES	COC(=O)COc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1
InChI	InChI=1S/C18H17Cl2NO5/c1-11(26-16-8-3-12(19)9-15(16)20)18(23)21-13-4-6-14(7-5-13)25-10-17(22)24-2/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKey	NMJIPMWAWJOXIJ-UHFFFAOYSA-N
XLogP	3.95
TPSA	73.86 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.24
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of Methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate?

The IUPAC name of Methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate (CID 55709148) is methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate.

What is the SMILES notation for Methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate?

The canonical SMILES for Methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate is COC(=O)COc1ccc(NC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1.

What is the InChIKey of Methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate?

The InChIKey is NMJIPMWAWJOXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO5/c1-11(26-16-8-3-12(19)9-15(16)20)18(23)21-13-4-6-14(7-5-13)25-10-17(22)24-2/h3-9,11H,10H2,1-2H3,(H,21,23).

What are the key properties of Methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate?

Methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate has a molecular weight of 398.24 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate is sourced from PubChem (CID 55709148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 55709148 — identifiers, structure, computed properties (public domain)

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