2,2,2-trichloro-N-[(E)-3-cyclohexylprop-2-enyl]acetamide

C11H16Cl3NO — CID 164670664

IUPAC2,2,2-trichloro-N-[(E)-3-cyclohexylprop-2-enyl]acetamide
SMILESO=C(NC/C=C/C1CCCCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H16Cl3NO/c12-11(13,14)10(16)15-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2,(H,15,16)/b7-4+
InChIKeyQJMZBHCVZQHBJM-QPJJXVBHSA-N
MW284.61 g/mol
LogP3.61
Rot. Bonds3

About 2,2,2-trichloro-N-[(E)-3-cyclohexylprop-2-enyl]acetamide

2,2,2-trichloro-N-[(E)-3-cyclohexylprop-2-enyl]acetamide (PubChem CID 164670664) has the molecular formula C11H16Cl3NO and a molecular weight of 284.61 g/mol. Its IUPAC name is 2,2,2-trichloro-N-[(E)-3-cyclohexylprop-2-enyl]acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-[(E)-3-cyclohexylprop-2-enyl]acetamide
PubChem CID164670664
Molecular FormulaC11H16Cl3NO
Molecular Weight284.61 g/mol
Exact Mass283.03
IUPAC Name2,2,2-trichloro-N-[(E)-3-cyclohexylprop-2-enyl]acetamide
SMILESO=C(NC/C=C/C1CCCCC1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H16Cl3NO/c12-11(13,14)10(16)15-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2,(H,15,16)/b7-4+
InChIKeyQJMZBHCVZQHBJM-QPJJXVBHSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.61
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-3-cyclohexylprop-2-enyl]acetamide?
The IUPAC name of 2,2,2-trichloro-N-[(E)-3-cyclohexylprop-2-enyl]acetamide (CID 164670664) is 2,2,2-trichloro-N-[(E)-3-cyclohexylprop-2-enyl]acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-[(E)-3-cyclohexylprop-2-enyl]acetamide?
The canonical SMILES for 2,2,2-trichloro-N-[(E)-3-cyclohexylprop-2-enyl]acetamide is O=C(NC/C=C/C1CCCCC1)C(Cl)(Cl)Cl.
What is the InChIKey of 2,2,2-trichloro-N-[(E)-3-cyclohexylprop-2-enyl]acetamide?
The InChIKey is QJMZBHCVZQHBJM-QPJJXVBHSA-N. The full InChI is InChI=1S/C11H16Cl3NO/c12-11(13,14)10(16)15-8-4-7-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6,8H2,(H,15,16)/b7-4+.
What are the key properties of 2,2,2-trichloro-N-[(E)-3-cyclohexylprop-2-enyl]acetamide?
2,2,2-trichloro-N-[(E)-3-cyclohexylprop-2-enyl]acetamide has a molecular weight of 284.61 g/mol, XLogP of 3.61, 3 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-[(E)-3-cyclohexylprop-2-enyl]acetamide is sourced from PubChem (CID 164670664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).