ethyl 2-amino-3-(2,6-dichloroanilino)benzoate

C15H14Cl2N2O2 — CID 115546399

IUPACethyl 2-amino-3-(2,6-dichloroanilino)benzoate
SMILESCCOC(=O)c1cccc(Nc2c(Cl)cccc2Cl)c1N
InChIInChI=1S/C15H14Cl2N2O2/c1-2-21-15(20)9-5-3-8-12(13(9)18)19-14-10(16)6-4-7-11(14)17/h3-8,19H,2,18H2,1H3
InChIKeyZWGBPZVKLIIWGF-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.50
Rot. Bonds4

About ethyl 2-amino-3-(2,6-dichloroanilino)benzoate

ethyl 2-amino-3-(2,6-dichloroanilino)benzoate (PubChem CID 115546399) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is ethyl 2-amino-3-(2,6-dichloroanilino)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2,6-dichloroanilino)benzoate
PubChem CID115546399
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Nameethyl 2-amino-3-(2,6-dichloroanilino)benzoate
SMILESCCOC(=O)c1cccc(Nc2c(Cl)cccc2Cl)c1N
InChIInChI=1S/C15H14Cl2N2O2/c1-2-21-15(20)9-5-3-8-12(13(9)18)19-14-10(16)6-4-7-11(14)17/h3-8,19H,2,18H2,1H3
InChIKeyZWGBPZVKLIIWGF-UHFFFAOYSA-N
XLogP4.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-chloro-2-(methylamino)benzoate
CID 23093512
ethyl 2-amino-3-(4-chloro-3-fluoroanilino)benzoate
CID 115545226
ethyl 2-[(2-chlorobenzenecarbothioyl)amino]benzoate
CID 170842399
ethyl 2-amino-3-(2-chloroacetyl)benzoate
CID 175008428
ethyl 2-[[5-amino-6-(2-chloroanilino)pyrimidin-4-yl]amino]benzoate
CID 19147988
ethyl 2-amino-3-(3-fluoro-4-methylanilino)benzoate
CID 115544518
ethyl 3-amino-2-(2-methylanilino)benzoate
CID 115934055
ethyl 2-amino-3-[[2-(methylamino)-2-oxoethyl]amino]benzoate
CID 113332560
ethyl 2-amino-3-(5-bromo-2-fluoroanilino)benzoate
CID 115544859
ethyl 2-amino-3-(4-bromo-3-fluoroanilino)benzoate
CID 115546383
ethyl 2-amino-3-[(1-methylpiperidin-2-yl)methylamino]benzoate
CID 115545628
ethyl 3-chloro-2-cyanobenzoate
CID 14696600

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2,6-dichloroanilino)benzoate?
The IUPAC name of ethyl 2-amino-3-(2,6-dichloroanilino)benzoate (CID 115546399) is ethyl 2-amino-3-(2,6-dichloroanilino)benzoate.
What is the SMILES notation for ethyl 2-amino-3-(2,6-dichloroanilino)benzoate?
The canonical SMILES for ethyl 2-amino-3-(2,6-dichloroanilino)benzoate is CCOC(=O)c1cccc(Nc2c(Cl)cccc2Cl)c1N.
What is the InChIKey of ethyl 2-amino-3-(2,6-dichloroanilino)benzoate?
The InChIKey is ZWGBPZVKLIIWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-2-21-15(20)9-5-3-8-12(13(9)18)19-14-10(16)6-4-7-11(14)17/h3-8,19H,2,18H2,1H3.
What are the key properties of ethyl 2-amino-3-(2,6-dichloroanilino)benzoate?
ethyl 2-amino-3-(2,6-dichloroanilino)benzoate has a molecular weight of 325.20 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2,6-dichloroanilino)benzoate is sourced from PubChem (CID 115546399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).