ethyl 2-(3,4-dichloroanilino)acetate

C10H11Cl2NO2 — CID 2727804

IUPACethyl 2-(3,4-dichloroanilino)acetate
SMILESCCOC(=O)CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c1-2-15-10(14)6-13-7-3-4-8(11)9(12)5-7/h3-5,13H,2,6H2,1H3
InChIKeySQYQNTBOBNJCAD-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.97
Rot. Bonds4

About ethyl 2-(3,4-dichloroanilino)acetate

ethyl 2-(3,4-dichloroanilino)acetate (PubChem CID 2727804) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is ethyl 2-(3,4-dichloroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(3,4-dichloroanilino)acetate
PubChem CID2727804
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Nameethyl 2-(3,4-dichloroanilino)acetate
SMILESCCOC(=O)CNc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c1-2-15-10(14)6-13-7-3-4-8(11)9(12)5-7/h3-5,13H,2,6H2,1H3
InChIKeySQYQNTBOBNJCAD-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(3,4-dichloroanilino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 169545
CID 169545
CID 230717
CID 230717
CID 302656
CID 302656
CID 2771937
CID 2771937
CID 3780319
CID 3780319
CID 302644
CID 302644
CID 1562694
CID 1562694
CID 4140977
CID 4140977
CID 4612356
CID 4612356
CID 294810
CID 294810
CID 23724340
CID 23724340
CID 351250
CID 351250

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,4-dichloroanilino)acetate?
The IUPAC name of ethyl 2-(3,4-dichloroanilino)acetate (CID 2727804) is ethyl 2-(3,4-dichloroanilino)acetate.
What is the SMILES notation for ethyl 2-(3,4-dichloroanilino)acetate?
The canonical SMILES for ethyl 2-(3,4-dichloroanilino)acetate is CCOC(=O)CNc1ccc(Cl)c(Cl)c1.
What is the InChIKey of ethyl 2-(3,4-dichloroanilino)acetate?
The InChIKey is SQYQNTBOBNJCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-2-15-10(14)6-13-7-3-4-8(11)9(12)5-7/h3-5,13H,2,6H2,1H3.
What are the key properties of ethyl 2-(3,4-dichloroanilino)acetate?
ethyl 2-(3,4-dichloroanilino)acetate has a molecular weight of 248.11 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,4-dichloroanilino)acetate is sourced from PubChem (CID 2727804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).