2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate

C18H17Cl2NO4 — CID 8610773

IUPAC2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-12(22)21-15-5-2-13(3-6-15)10-18(23)25-9-8-24-17-7-4-14(19)11-16(17)20/h2-7,11H,8-10H2,1H3,(H,21,22)
InChIKeyHIAXMRIABSSQTL-UHFFFAOYSA-N
MW382.24 g/mol
LogP4.12
Rot. Bonds7

About 2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate

2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate (PubChem CID 8610773) has the molecular formula C18H17Cl2NO4 and a molecular weight of 382.24 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate
PubChem CID8610773
Molecular FormulaC18H17Cl2NO4
Molecular Weight382.24 g/mol
Exact Mass381.05
IUPAC Name2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate
SMILESCC(=O)Nc1ccc(CC(=O)OCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO4/c1-12(22)21-15-5-2-13(3-6-15)10-18(23)25-9-8-24-17-7-4-14(19)11-16(17)20/h2-7,11H,8-10H2,1H3,(H,21,22)
InChIKeyHIAXMRIABSSQTL-UHFFFAOYSA-N
XLogP4.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8609899
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
N-[4-[2-(2-bromo-4-chlorophenoxy)ethoxy]phenyl]acetamide
CID 17430448
2-(4-ethoxyphenoxy)ethyl 2-(4-acetamidophenyl)acetate
CID 8610737
[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671559
2-(2,4-dichlorophenoxy)ethyl 3-(phenylcarbamoylamino)propanoate
CID 7805347
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8671570
2-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-N-propan-2-ylacetamide
CID 39680657
methyl 2-[4-(2-aminoethoxy)-3-chlorophenyl]acetate
CID 69211137
(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
CID 4938737
N-[4-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 3372417
(2-chloro-4-cyanophenyl) 2-(4-acetamidophenyl)acetate
CID 18288010

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate?
The IUPAC name of 2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate (CID 8610773) is 2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate?
The canonical SMILES for 2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate is CC(=O)Nc1ccc(CC(=O)OCCOc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate?
The InChIKey is HIAXMRIABSSQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO4/c1-12(22)21-15-5-2-13(3-6-15)10-18(23)25-9-8-24-17-7-4-14(19)11-16(17)20/h2-7,11H,8-10H2,1H3,(H,21,22).
What are the key properties of 2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate?
2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate has a molecular weight of 382.24 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)ethyl 2-(4-acetamidophenyl)acetate is sourced from PubChem (CID 8610773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).