2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

C20H23Cl2NO3 — CID 159842705

IUPAC2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCCCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H23Cl2NO3/c1-2-3-11-25-12-13-26-19(24)14-15-7-4-5-10-18(15)23-20-16(21)8-6-9-17(20)22/h4-10,23H,2-3,11-14H2,1H3
InChIKeyDNTKRDPYVPLAHN-UHFFFAOYSA-N
MW396.31 g/mol
LogP5.64
Rot. Bonds10

About 2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate

2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 159842705) has the molecular formula C20H23Cl2NO3 and a molecular weight of 396.31 g/mol. Its IUPAC name is 2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

Compound Name2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
PubChem CID159842705
Molecular FormulaC20H23Cl2NO3
Molecular Weight396.31 g/mol
Exact Mass395.11
IUPAC Name2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCCCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C20H23Cl2NO3/c1-2-3-11-25-12-13-26-19(24)14-15-7-4-5-10-18(15)23-20-16(21)8-6-9-17(20)22/h4-10,23H,2-3,11-14H2,1H3
InChIKeyDNTKRDPYVPLAHN-UHFFFAOYSA-N
XLogP5.64
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.31
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59514929
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-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;tert-butyl 4-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]butanoate;tert-butyl 4-(2-hydroxyethoxy)butanoate;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 162078878
[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
[3-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxy-2-hydroxypropyl] nonadecanoate
CID 139790260
[dibutyl(chloro)stannyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 16686790
3-(4-methylpiperidin-1-yl)propyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 142844653
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

Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The IUPAC name of 2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 159842705) is 2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate.
What is the SMILES notation for 2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The canonical SMILES for 2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate is CCCCOCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The InChIKey is DNTKRDPYVPLAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2NO3/c1-2-3-11-25-12-13-26-19(24)14-15-7-4-5-10-18(15)23-20-16(21)8-6-9-17(20)22/h4-10,23H,2-3,11-14H2,1H3.
What are the key properties of 2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 396.31 g/mol, XLogP of 5.64, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 159842705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).