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

C6H10ClNO3 — CID 3022353

IUPAC2-[(2-chloroacetyl)amino]ethyl acetate
SMILESCC(=O)OCCNC(=O)CCl
InChIInChI=1S/C6H10ClNO3/c1-5(9)11-3-2-8-6(10)4-7/h2-4H2,1H3,(H,8,10)
InChIKeyVQBLXJYMFADQHI-UHFFFAOYSA-N
MW179.60 g/mol
LogP-0.10
Rot. Bonds4

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

2-[(2-chloroacetyl)amino]ethyl acetate (PubChem CID 3022353) has the molecular formula C6H10ClNO3 and a molecular weight of 179.60 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[(2-chloroacetyl)amino]ethyl acetate
PubChem CID3022353
Molecular FormulaC6H10ClNO3
Molecular Weight179.60 g/mol
Exact Mass179.03
IUPAC Name2-[(2-chloroacetyl)amino]ethyl acetate
SMILESCC(=O)OCCNC(=O)CCl
InChIInChI=1S/C6H10ClNO3/c1-5(9)11-3-2-8-6(10)4-7/h2-4H2,1H3,(H,8,10)
InChIKeyVQBLXJYMFADQHI-UHFFFAOYSA-N
XLogP-0.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.60
LogP ≤ 5-0.10
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 acetate?
The IUPAC name of 2-[(2-chloroacetyl)amino]ethyl acetate (CID 3022353) is 2-[(2-chloroacetyl)amino]ethyl acetate.
What is the SMILES notation for 2-[(2-chloroacetyl)amino]ethyl acetate?
The canonical SMILES for 2-[(2-chloroacetyl)amino]ethyl acetate is CC(=O)OCCNC(=O)CCl.
What is the InChIKey of 2-[(2-chloroacetyl)amino]ethyl acetate?
The InChIKey is VQBLXJYMFADQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO3/c1-5(9)11-3-2-8-6(10)4-7/h2-4H2,1H3,(H,8,10).
What are the key properties of 2-[(2-chloroacetyl)amino]ethyl acetate?
2-[(2-chloroacetyl)amino]ethyl acetate has a molecular weight of 179.60 g/mol, XLogP of -0.10, 4 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 acetate is sourced from PubChem (CID 3022353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).