ethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate

C12H14Cl2N4O2 — CID 66190048

IUPACethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate
SMILESCCOC(=O)C(NCCN=[N+]=[N-])c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N4O2/c1-2-20-12(19)11(16-6-7-17-18-15)8-4-3-5-9(13)10(8)14/h3-5,11,16H,2,6-7H2,1H3
InChIKeyABMMBMMPCRXWTE-UHFFFAOYSA-N
MW317.18 g/mol
LogP3.50
Rot. Bonds7

About ethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate

ethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate (PubChem CID 66190048) has the molecular formula C12H14Cl2N4O2 and a molecular weight of 317.18 g/mol. Its IUPAC name is ethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate
PubChem CID66190048
Molecular FormulaC12H14Cl2N4O2
Molecular Weight317.18 g/mol
Exact Mass316.05
IUPAC Nameethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate
SMILESCCOC(=O)C(NCCN=[N+]=[N-])c1cccc(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N4O2/c1-2-20-12(19)11(16-6-7-17-18-15)8-4-3-5-9(13)10(8)14/h3-5,11,16H,2,6-7H2,1H3
InChIKeyABMMBMMPCRXWTE-UHFFFAOYSA-N
XLogP3.50
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.18
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze ethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)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

ethyl 2-(2-azidoethylamino)-2-(2-methylphenyl)acetate
CID 66190436
ethyl 2-(2-azidoethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 66190428
ethyl 2-(3-azidopropylamino)-2-(3,4-dichlorophenyl)acetate
CID 66190326
ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
CID 116684887
ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
CID 60994243
methyl 2-(2-azidoethylamino)-2-[2-(trifluoromethyl)phenyl]acetate
CID 66189224
ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate
CID 19705040
ethyl 2-(3-azidopropylamino)-2-(2,5-dimethylthiophen-3-yl)acetate
CID 66190132
ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate
CID 103914729
2-(3-azidopropylamino)-2-(2-ethoxyphenyl)acetamide
CID 66165772
ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 141274258
3-[1-(2,3-dichlorophenyl)ethylamino]-N-propylpropanamide
CID 103778315

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate?
The IUPAC name of ethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate (CID 66190048) is ethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate.
What is the SMILES notation for ethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate?
The canonical SMILES for ethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate is CCOC(=O)C(NCCN=[N+]=[N-])c1cccc(Cl)c1Cl.
What is the InChIKey of ethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate?
The InChIKey is ABMMBMMPCRXWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N4O2/c1-2-20-12(19)11(16-6-7-17-18-15)8-4-3-5-9(13)10(8)14/h3-5,11,16H,2,6-7H2,1H3.
What are the key properties of ethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate?
ethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate has a molecular weight of 317.18 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-azidoethylamino)-2-(2,3-dichlorophenyl)acetate is sourced from PubChem (CID 66190048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).