[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate

C17H13Cl2NO5 — CID 8609856

IUPAC[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
SMILESO=Cc1ccccc1OCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H13Cl2NO5/c18-12-5-3-6-13(17(12)19)20-15(22)9-25-16(23)10-24-14-7-2-1-4-11(14)8-21/h1-8H,9-10H2,(H,20,22)
InChIKeyBZGDTXJWVRCTJD-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.37
Rot. Bonds7

About [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate

[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate (PubChem CID 8609856) has the molecular formula C17H13Cl2NO5 and a molecular weight of 382.20 g/mol. Its IUPAC name is [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
PubChem CID8609856
Molecular FormulaC17H13Cl2NO5
Molecular Weight382.20 g/mol
Exact Mass381.02
IUPAC Name[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
SMILESO=Cc1ccccc1OCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H13Cl2NO5/c18-12-5-3-6-13(17(12)19)20-15(22)9-25-16(23)10-24-14-7-2-1-4-11(14)8-21/h1-8H,9-10H2,(H,20,22)
InChIKeyBZGDTXJWVRCTJD-UHFFFAOYSA-N
XLogP3.37
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.37
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-methylsulfanylanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609898
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(2-formylphenoxy)acetate
CID 8609788
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-chlorophenyl)acetate
CID 8633362
[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609611
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetate
CID 16534874
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 7982074
[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8608301
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 8609973
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 9197712
[2-(2,5-dichlorophenyl)-2-oxoethyl] 2-(2-formylphenoxy)acetate
CID 23760901
methyl 2-(2-formylphenoxy)acetate
CID 5151625
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The IUPAC name of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate (CID 8609856) is [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate.
What is the SMILES notation for [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The canonical SMILES for [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate is O=Cc1ccccc1OCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate?
The InChIKey is BZGDTXJWVRCTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO5/c18-12-5-3-6-13(17(12)19)20-15(22)9-25-16(23)10-24-14-7-2-1-4-11(14)8-21/h1-8H,9-10H2,(H,20,22).
What are the key properties of [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate?
[2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate has a molecular weight of 382.20 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dichloroanilino)-2-oxoethyl] 2-(2-formylphenoxy)acetate is sourced from PubChem (CID 8609856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).