2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide

C6H10ClFN2O2 — CID 166334668

IUPAC2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide
SMILESCCNC(=O)CNC(=O)C(F)Cl
InChIInChI=1S/C6H10ClFN2O2/c1-2-9-4(11)3-10-6(12)5(7)8/h5H,2-3H2,1H3,(H,9,11)(H,10,12)
InChIKeyPUFDSKJBZSQXEI-UHFFFAOYSA-N
MW196.61 g/mol
LogP-0.23
Rot. Bonds4

About 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide

2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide (PubChem CID 166334668) has the molecular formula C6H10ClFN2O2 and a molecular weight of 196.61 g/mol. Its IUPAC name is 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide
PubChem CID166334668
Molecular FormulaC6H10ClFN2O2
Molecular Weight196.61 g/mol
Exact Mass196.04
IUPAC Name2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide
SMILESCCNC(=O)CNC(=O)C(F)Cl
InChIInChI=1S/C6H10ClFN2O2/c1-2-9-4(11)3-10-6(12)5(7)8/h5H,2-3H2,1H3,(H,9,11)(H,10,12)
InChIKeyPUFDSKJBZSQXEI-UHFFFAOYSA-N
XLogP-0.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide?
The IUPAC name of 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide (CID 166334668) is 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide.
What is the SMILES notation for 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide?
The canonical SMILES for 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide is CCNC(=O)CNC(=O)C(F)Cl.
What is the InChIKey of 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide?
The InChIKey is PUFDSKJBZSQXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClFN2O2/c1-2-9-4(11)3-10-6(12)5(7)8/h5H,2-3H2,1H3,(H,9,11)(H,10,12).
What are the key properties of 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide?
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide has a molecular weight of 196.61 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(ethylamino)-2-oxoethyl]-2-fluoroacetamide is sourced from PubChem (CID 166334668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).