2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate

C6H9Cl2NO3 — CID 4658327

IUPAC2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate
SMILESO=C(CCl)NCCOC(=O)CCl
InChIInChI=1S/C6H9Cl2NO3/c7-3-5(10)9-1-2-12-6(11)4-8/h1-4H2,(H,9,10)
InChIKeyDYAQEUGTXSANCX-UHFFFAOYSA-N
MW214.05 g/mol
LogP0.12
Rot. Bonds5

About 2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate

2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate (PubChem CID 4658327) has the molecular formula C6H9Cl2NO3 and a molecular weight of 214.05 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate.

Molecular Properties

Compound Name2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate
PubChem CID4658327
Molecular FormulaC6H9Cl2NO3
Molecular Weight214.05 g/mol
Exact Mass213.00
IUPAC Name2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate
SMILESO=C(CCl)NCCOC(=O)CCl
InChIInChI=1S/C6H9Cl2NO3/c7-3-5(10)9-1-2-12-6(11)4-8/h1-4H2,(H,9,10)
InChIKeyDYAQEUGTXSANCX-UHFFFAOYSA-N
XLogP0.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.05
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate?
The IUPAC name of 2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate (CID 4658327) is 2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate.
What is the SMILES notation for 2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate?
The canonical SMILES for 2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate is O=C(CCl)NCCOC(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate?
The InChIKey is DYAQEUGTXSANCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2NO3/c7-3-5(10)9-1-2-12-6(11)4-8/h1-4H2,(H,9,10).
What are the key properties of 2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate?
2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate has a molecular weight of 214.05 g/mol, XLogP of 0.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)amino]ethyl 2-chloroacetate is sourced from PubChem (CID 4658327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).