ethyl 2-amino-5-(2,4-dichloroanilino)benzoate

C15H14Cl2N2O2 — CID 63425547

IUPACethyl 2-amino-5-(2,4-dichloroanilino)benzoate
SMILESCCOC(=O)c1cc(Nc2ccc(Cl)cc2Cl)ccc1N
InChIInChI=1S/C15H14Cl2N2O2/c1-2-21-15(20)11-8-10(4-5-13(11)18)19-14-6-3-9(16)7-12(14)17/h3-8,19H,2,18H2,1H3
InChIKeyREFAKCLEFOWHOB-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.50
Rot. Bonds4

About ethyl 2-amino-5-(2,4-dichloroanilino)benzoate

ethyl 2-amino-5-(2,4-dichloroanilino)benzoate (PubChem CID 63425547) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is ethyl 2-amino-5-(2,4-dichloroanilino)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-5-(2,4-dichloroanilino)benzoate
PubChem CID63425547
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Nameethyl 2-amino-5-(2,4-dichloroanilino)benzoate
SMILESCCOC(=O)c1cc(Nc2ccc(Cl)cc2Cl)ccc1N
InChIInChI=1S/C15H14Cl2N2O2/c1-2-21-15(20)11-8-10(4-5-13(11)18)19-14-6-3-9(16)7-12(14)17/h3-8,19H,2,18H2,1H3
InChIKeyREFAKCLEFOWHOB-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 2-amino-5-(2,3-dichloroanilino)benzoate
CID 63425312
ethyl 2-amino-5-(4-chloro-3-fluoroanilino)benzoate
CID 63423525
ethyl 5-amino-2-(4-chloroanilino)benzoate
CID 61306369
ethyl 2-amino-5-(2-ethylanilino)benzoate
CID 63425437
ethyl 4-(2-amino-5-chloroanilino)benzoate
CID 69243688
ethyl 2-amino-5-(3-bromo-2-methylanilino)benzoate
CID 107637696
ethyl 2-amino-5-(4-iodoanilino)benzoate
CID 63425715
1-[2-amino-5-(2-chloro-4-methylanilino)phenyl]ethanone
CID 104612316
ethyl 2-[[5-amino-6-(2,4-dichloroanilino)pyrimidin-4-yl]amino]benzoate
CID 19149867
ethyl 5-amino-2-(4-chloro-2-iodoanilino)benzoate
CID 107637817
(3,5-dimethylphenyl)methyl 2-amino-5-chlorobenzoate
CID 60644529
ethyl 2-(4-chloroanilino)benzoate
CID 82535773

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-(2,4-dichloroanilino)benzoate?
The IUPAC name of ethyl 2-amino-5-(2,4-dichloroanilino)benzoate (CID 63425547) is ethyl 2-amino-5-(2,4-dichloroanilino)benzoate.
What is the SMILES notation for ethyl 2-amino-5-(2,4-dichloroanilino)benzoate?
The canonical SMILES for ethyl 2-amino-5-(2,4-dichloroanilino)benzoate is CCOC(=O)c1cc(Nc2ccc(Cl)cc2Cl)ccc1N.
What is the InChIKey of ethyl 2-amino-5-(2,4-dichloroanilino)benzoate?
The InChIKey is REFAKCLEFOWHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-2-21-15(20)11-8-10(4-5-13(11)18)19-14-6-3-9(16)7-12(14)17/h3-8,19H,2,18H2,1H3.
What are the key properties of ethyl 2-amino-5-(2,4-dichloroanilino)benzoate?
ethyl 2-amino-5-(2,4-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-5-(2,4-dichloroanilino)benzoate is sourced from PubChem (CID 63425547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).