2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate

C19H20ClNO5 — CID 16526656

IUPAC2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCCOc1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO5/c1-2-24-17-9-4-3-8-16(17)19(23)21-13-18(22)26-11-10-25-15-7-5-6-14(20)12-15/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)
InChIKeyWROGNUJIQOYFEY-UHFFFAOYSA-N
MW377.82 g/mol
LogP3.09
Rot. Bonds9

About 2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate

2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate (PubChem CID 16526656) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
PubChem CID16526656
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC Name2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccccc1C(=O)NCC(=O)OCCOc1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO5/c1-2-24-17-9-4-3-8-16(17)19(23)21-13-18(22)26-11-10-25-15-7-5-6-14(20)12-15/h3-9,12H,2,10-11,13H2,1H3,(H,21,23)
InChIKeyWROGNUJIQOYFEY-UHFFFAOYSA-N
XLogP3.09
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 53.09
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-(3-methylphenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807719
[2-(3-chloroanilino)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 2548139
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517
(4-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807819
2-(3-chlorophenoxy)ethyl 2-[(3-fluorobenzoyl)amino]acetate
CID 16526665
(2-chlorophenyl)methyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 7951719
2-(4-ethoxyphenoxy)ethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843780
2-phenoxyethyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 7843771
2-(3-ethylphenoxy)ethyl 2-[(2-fluorobenzoyl)amino]acetate
CID 55316806
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 2548047
2-(3-methylphenoxy)ethyl 2-[(3,4-diethoxybenzoyl)amino]acetate
CID 42965613
(2-ethoxyphenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]acetate
CID 9270866

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
The IUPAC name of 2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate (CID 16526656) is 2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for 2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
The canonical SMILES for 2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate is CCOc1ccccc1C(=O)NCC(=O)OCCOc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
The InChIKey is WROGNUJIQOYFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-2-24-17-9-4-3-8-16(17)19(23)21-13-18(22)26-11-10-25-15-7-5-6-14(20)12-15/h3-9,12H,2,10-11,13H2,1H3,(H,21,23).
What are the key properties of 2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate?
2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate has a molecular weight of 377.82 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)ethyl 2-[(2-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 16526656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).