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

C15H13Cl2NO2 — CID 519102

IUPACmethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-20-14(19)9-10-5-2-3-8-13(10)18-15-11(16)6-4-7-12(15)17/h2-8,18H,9H2,1H3
InChIKeyVETACGBDFVVKGZ-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.45
Rot. Bonds4

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

methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate (PubChem CID 519102) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
PubChem CID519102
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Namemethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H13Cl2NO2/c1-20-14(19)9-10-5-2-3-8-13(10)18-15-11(16)6-4-7-12(15)17/h2-8,18H,9H2,1H3
InChIKeyVETACGBDFVVKGZ-UHFFFAOYSA-N
XLogP4.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The IUPAC name of methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate (CID 519102) is methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The canonical SMILES for methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate is COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl.
What is the InChIKey of methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
The InChIKey is VETACGBDFVVKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c1-20-14(19)9-10-5-2-3-8-13(10)18-15-11(16)6-4-7-12(15)17/h2-8,18H,9H2,1H3.
What are the key properties of methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate?
methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate has a molecular weight of 310.18 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2,6-dichloroanilino)phenyl]acetate is sourced from PubChem (CID 519102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).