2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate

C19H19Cl2NO5 — CID 7843780

IUPAC2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCCOc1ccc(OCCOC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO5/c1-2-25-14-4-6-15(7-5-14)26-9-10-27-18(23)12-22-19(24)16-8-3-13(20)11-17(16)21/h3-8,11H,2,9-10,12H2,1H3,(H,22,24)
InChIKeyHYDQANSZFQAEJF-UHFFFAOYSA-N
MW412.27 g/mol
LogP3.74
Rot. Bonds9

About 2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate

2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate (PubChem CID 7843780) has the molecular formula C19H19Cl2NO5 and a molecular weight of 412.27 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
PubChem CID7843780
Molecular FormulaC19H19Cl2NO5
Molecular Weight412.27 g/mol
Exact Mass411.06
IUPAC Name2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
SMILESCCOc1ccc(OCCOC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H19Cl2NO5/c1-2-25-14-4-6-15(7-5-14)26-9-10-27-18(23)12-22-19(24)16-8-3-13(20)11-17(16)21/h3-8,11H,2,9-10,12H2,1H3,(H,22,24)
InChIKeyHYDQANSZFQAEJF-UHFFFAOYSA-N
XLogP3.74
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843771
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270722
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
2,4-dichloro-N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24546574
(2-ethoxyphenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270866
2-oxopropyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843867
2,4-dichloro-N-[2-[[(4-ethoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
CID 46433559
2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 16526656
2-(2,6-dichlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884828
2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885053
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
2,4-dichloro-N-[(4-ethoxyphenyl)carbamothioyl]benzamide
CID 1340247

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The IUPAC name of 2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate (CID 7843780) is 2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate.
What is the SMILES notation for 2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The canonical SMILES for 2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate is CCOc1ccc(OCCOC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
The InChIKey is HYDQANSZFQAEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO5/c1-2-25-14-4-6-15(7-5-14)26-9-10-27-18(23)12-22-19(24)16-8-3-13(20)11-17(16)21/h3-8,11H,2,9-10,12H2,1H3,(H,22,24).
What are the key properties of 2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate?
2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate has a molecular weight of 412.27 g/mol, XLogP of 3.74, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate is sourced from PubChem (CID 7843780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).