2,2,2-trichloro-N-dec-1-en-3-ylacetamide

C12H20Cl3NO — CID 101452024

IUPAC2,2,2-trichloro-N-dec-1-en-3-ylacetamide
SMILESC=CC(CCCCCCC)NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C12H20Cl3NO/c1-3-5-6-7-8-9-10(4-2)16-11(17)12(13,14)15/h4,10H,2-3,5-9H2,1H3,(H,16,17)
InChIKeyQEKOPJCMJDAAFM-UHFFFAOYSA-N
MW300.66 g/mol
LogP4.39
Rot. Bonds8

About 2,2,2-trichloro-N-dec-1-en-3-ylacetamide

2,2,2-trichloro-N-dec-1-en-3-ylacetamide (PubChem CID 101452024) has the molecular formula C12H20Cl3NO and a molecular weight of 300.66 g/mol. Its IUPAC name is 2,2,2-trichloro-N-dec-1-en-3-ylacetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-dec-1-en-3-ylacetamide
PubChem CID101452024
Molecular FormulaC12H20Cl3NO
Molecular Weight300.66 g/mol
Exact Mass299.06
IUPAC Name2,2,2-trichloro-N-dec-1-en-3-ylacetamide
SMILESC=CC(CCCCCCC)NC(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C12H20Cl3NO/c1-3-5-6-7-8-9-10(4-2)16-11(17)12(13,14)15/h4,10H,2-3,5-9H2,1H3,(H,16,17)
InChIKeyQEKOPJCMJDAAFM-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.66
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-dec-1-en-3-ylacetamide?
The IUPAC name of 2,2,2-trichloro-N-dec-1-en-3-ylacetamide (CID 101452024) is 2,2,2-trichloro-N-dec-1-en-3-ylacetamide.
What is the SMILES notation for 2,2,2-trichloro-N-dec-1-en-3-ylacetamide?
The canonical SMILES for 2,2,2-trichloro-N-dec-1-en-3-ylacetamide is C=CC(CCCCCCC)NC(=O)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-dec-1-en-3-ylacetamide?
The InChIKey is QEKOPJCMJDAAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20Cl3NO/c1-3-5-6-7-8-9-10(4-2)16-11(17)12(13,14)15/h4,10H,2-3,5-9H2,1H3,(H,16,17).
What are the key properties of 2,2,2-trichloro-N-dec-1-en-3-ylacetamide?
2,2,2-trichloro-N-dec-1-en-3-ylacetamide has a molecular weight of 300.66 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-dec-1-en-3-ylacetamide is sourced from PubChem (CID 101452024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).