(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate

C17H15Cl2NO4 — CID 46783545

IUPAC(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCOC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-23-16(22)10-24-15(21)9-11-5-2-3-8-14(11)20-17-12(18)6-4-7-13(17)19/h2-8,20H,9-10H2,1H3
InChIKeyCYRWXOBAPNKPIF-UHFFFAOYSA-N
MW368.22 g/mol
LogP4.00
Rot. Bonds6

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

(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 46783545) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
PubChem CID46783545
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Name(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCOC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C17H15Cl2NO4/c1-23-16(22)10-24-15(21)9-11-5-2-3-8-14(11)20-17-12(18)6-4-7-13(17)19/h2-8,20H,9-10H2,1H3
InChIKeyCYRWXOBAPNKPIF-UHFFFAOYSA-N
XLogP4.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetyl]oxyacetyl]oxyacetic acid
CID 57369464
[2-(2-methoxyethoxymethoxy)-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 142648888
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
(5-amino-2-oxopentyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 157152797
pentyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59514929
hydroxymethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;methoxymethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;molecular iodine;triiodide
CID 158388080
2-butoxyethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 159842705
2-(2-aminoethoxy)ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate;hydrochloride
CID 25230838
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethylazanium
CID 59352016
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
1,3-dihydroxypropan-2-yl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 90057801
2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyacetic acid;6-(methylamino)hexane-1,1,2,3,4,5-hexol
CID 25097346

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 46783545) is (2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate is COC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The InChIKey is CYRWXOBAPNKPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-23-16(22)10-24-15(21)9-11-5-2-3-8-14(11)20-17-12(18)6-4-7-13(17)19/h2-8,20H,9-10H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate?
(2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 368.22 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 46783545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).