[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate

C16H12BrCl2NO4 — CID 2365797

IUPAC[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(Br)c1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H12BrCl2NO4/c17-10-3-1-4-11(7-10)23-9-15(22)24-8-14(21)20-16-12(18)5-2-6-13(16)19/h1-7H,8-9H2,(H,20,21)
InChIKeyGODAAKVDZQMPGF-UHFFFAOYSA-N
MW433.09 g/mol
LogP4.32
Rot. Bonds6

About [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate

[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate (PubChem CID 2365797) has the molecular formula C16H12BrCl2NO4 and a molecular weight of 433.09 g/mol. Its IUPAC name is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate.

Molecular Properties

Compound Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
PubChem CID2365797
Molecular FormulaC16H12BrCl2NO4
Molecular Weight433.09 g/mol
Exact Mass430.93
IUPAC Name[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(Br)c1)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H12BrCl2NO4/c17-10-3-1-4-11(7-10)23-9-15(22)24-8-14(21)20-16-12(18)5-2-6-13(16)19/h1-7H,8-9H2,(H,20,21)
InChIKeyGODAAKVDZQMPGF-UHFFFAOYSA-N
XLogP4.32
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.09
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The IUPAC name of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate (CID 2365797) is [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate.
What is the SMILES notation for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The canonical SMILES for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate is O=C(COC(=O)COc1cccc(Br)c1)Nc1c(Cl)cccc1Cl.
What is the InChIKey of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
The InChIKey is GODAAKVDZQMPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrCl2NO4/c17-10-3-1-4-11(7-10)23-9-15(22)24-8-14(21)20-16-12(18)5-2-6-13(16)19/h1-7H,8-9H2,(H,20,21).
What are the key properties of [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate?
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate has a molecular weight of 433.09 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate is sourced from PubChem (CID 2365797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).