[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate

C19H17Cl2NO5 — CID 8608301

IUPAC[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
SMILESO=Cc1ccccc1OCC(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2NO5/c20-15-6-5-13(16(21)9-15)7-8-22-18(24)11-27-19(25)12-26-17-4-2-1-3-14(17)10-23/h1-6,9-10H,7-8,11-12H2,(H,22,24)
InChIKeyHMSGCDFHDURUHO-UHFFFAOYSA-N
MW410.25 g/mol
LogP3.09
Rot. Bonds9

About [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate

[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate (PubChem CID 8608301) has the molecular formula C19H17Cl2NO5 and a molecular weight of 410.25 g/mol. Its IUPAC name is [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
PubChem CID8608301
Molecular FormulaC19H17Cl2NO5
Molecular Weight410.25 g/mol
Exact Mass409.05
IUPAC Name[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
SMILESO=Cc1ccccc1OCC(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2NO5/c20-15-6-5-13(16(21)9-15)7-8-22-18(24)11-27-19(25)12-26-17-4-2-1-3-14(17)10-23/h1-6,9-10H,7-8,11-12H2,(H,22,24)
InChIKeyHMSGCDFHDURUHO-UHFFFAOYSA-N
XLogP3.09
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 23760901
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-oxo-1-pyridinyl)acetate
CID 8986919
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 9197712
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609856
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2,6-difluorobenzoate
CID 2515179
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803716
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2553995
2-(4-chloro-2-formylphenoxy)-N-(2-cyanoethyl)acetamide
CID 39050836
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] (2E,4E)-hexa-2,4-dienoate
CID 2617983
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]acetate
CID 8736014
N-[4-[2-(2,4-dichlorophenyl)ethylamino]-4-oxobutyl]benzamide
CID 46650943
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2502686

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The IUPAC name of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate (CID 8608301) is [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate.
What is the SMILES notation for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The canonical SMILES for [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate is O=Cc1ccccc1OCC(=O)OCC(=O)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The InChIKey is HMSGCDFHDURUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2NO5/c20-15-6-5-13(16(21)9-15)7-8-22-18(24)11-27-19(25)12-26-17-4-2-1-3-14(17)10-23/h1-6,9-10H,7-8,11-12H2,(H,22,24).
What are the key properties of [2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate?
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate has a molecular weight of 410.25 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-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate is sourced from PubChem (CID 8608301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).