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

C14H10Cl2NO2- — CID 3032

IUPAC2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESO=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
InChIKeyDCOPUUMXTXDBNB-UHFFFAOYSA-M
MW295.15 g/mol
LogP3.03
Rot. Bonds4

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

2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 3032) has the molecular formula C14H10Cl2NO2- and a molecular weight of 295.15 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)phenyl]acetate
PubChem CID3032
Molecular FormulaC14H10Cl2NO2-
Molecular Weight295.15 g/mol
Exact Mass294.01
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESO=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
InChIKeyDCOPUUMXTXDBNB-UHFFFAOYSA-M
XLogP3.03
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.15
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 3032) is 2-[2-(2,6-dichloroanilino)phenyl]acetate.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)phenyl]acetate is O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The InChIKey is DCOPUUMXTXDBNB-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1.
What are the key properties of 2-[2-(2,6-dichloroanilino)phenyl]acetate?
2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 295.15 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 3032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).