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

C18H17Cl2NO5 — CID 55709148

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 Namemethyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate
PubChem CID55709148
Molecular FormulaC18H17Cl2NO5
Molecular Weight398.24 g/mol
Exact Mass397.05
IUPAC Namemethyl 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
XLogP3.95
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.24
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
2-(2,4-dichlorophenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4951504
2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42989366
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 40652778
methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
CID 1010111
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 42561530
(2R)-2-(2,4-dichlorophenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 7728372
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467

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).