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

C16H15Cl2NO2 — CID 11381728

IUPACethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-2-21-15(20)10-11-6-3-4-9-14(11)19-16-12(17)7-5-8-13(16)18/h3-9,19H,2,10H2,1H3
InChIKeyYPBCAMNSNFVYQL-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.84
Rot. Bonds5

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

ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 11381728) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
PubChem CID11381728
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC Nameethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C16H15Cl2NO2/c1-2-21-15(20)10-11-6-3-4-9-14(11)19-16-12(17)7-5-8-13(16)18/h3-9,19H,2,10H2,1H3
InChIKeyYPBCAMNSNFVYQL-UHFFFAOYSA-N
XLogP4.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The IUPAC name of ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 11381728) is ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate is CCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The InChIKey is YPBCAMNSNFVYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-2-21-15(20)10-11-6-3-4-9-14(11)19-16-12(17)7-5-8-13(16)18/h3-9,19H,2,10H2,1H3.
What are the key properties of ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 324.21 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 11381728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).