2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

C32H28Cl4N2O5 — CID 59981465

IUPAC2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESO=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C32H28Cl4N2O5/c33-23-9-5-10-24(34)31(23)37-27-13-3-1-7-21(27)19-29(39)42-17-15-41-16-18-43-30(40)20-22-8-2-4-14-28(22)38-32-25(35)11-6-12-26(32)36/h1-14,37-38H,15-20H2
InChIKeyDVNMGPKWTSSELN-UHFFFAOYSA-N
MW662.40 g/mol
LogP8.68
Rot. Bonds14

About 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 59981465) has the molecular formula C32H28Cl4N2O5 and a molecular weight of 662.40 g/mol. Its IUPAC name is 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

Compound Name2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
PubChem CID59981465
Molecular FormulaC32H28Cl4N2O5
Molecular Weight662.40 g/mol
Exact Mass660.08
IUPAC Name2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESO=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C32H28Cl4N2O5/c33-23-9-5-10-24(34)31(23)37-27-13-3-1-7-21(27)19-29(39)42-17-15-41-16-18-43-30(40)20-22-8-2-4-14-28(22)38-32-25(35)11-6-12-26(32)36/h1-14,37-38H,15-20H2
InChIKeyDVNMGPKWTSSELN-UHFFFAOYSA-N
XLogP8.68
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.40
LogP ≤ 58.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium
CID 59352016
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride
CID 25230838
2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 159842705
pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59514929
[2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 142648888
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 46783545
2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
2-[2-(2-phenylimidazol-1-yl)ethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 71558419
2-(2-hydroxyethoxy)ethyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
CID 54173996
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
(5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 157152797
1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 90057801

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The IUPAC name of 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 59981465) is 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate.
What is the SMILES notation for 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The canonical SMILES for 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate is O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The InChIKey is DVNMGPKWTSSELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Cl4N2O5/c33-23-9-5-10-24(34)31(23)37-27-13-3-1-7-21(27)19-29(39)42-17-15-41-16-18-43-30(40)20-22-8-2-4-14-28(22)38-32-25(35)11-6-12-26(32)36/h1-14,37-38H,15-20H2.
What are the key properties of 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 662.40 g/mol, XLogP of 8.68, 14 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 59981465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).