2,2,2-trichloro-N-(1-cyclohexylprop-2-enyl)acetamide

C11H16Cl3NO — CID 69032480

IUPAC2,2,2-trichloro-N-(1-cyclohexylprop-2-enyl)acetamide
SMILESC=CC(NC(=O)C(Cl)(Cl)Cl)C1CCCCC1
InChIInChI=1S/C11H16Cl3NO/c1-2-9(8-6-4-3-5-7-8)15-10(16)11(12,13)14/h2,8-9H,1,3-7H2,(H,15,16)
InChIKeyDKLVZVNELGPEEF-UHFFFAOYSA-N
MW284.61 g/mol
LogP3.61
Rot. Bonds3

About 2,2,2-trichloro-N-(1-cyclohexylprop-2-enyl)acetamide

2,2,2-trichloro-N-(1-cyclohexylprop-2-enyl)acetamide (PubChem CID 69032480) has the molecular formula C11H16Cl3NO and a molecular weight of 284.61 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(1-cyclohexylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(1-cyclohexylprop-2-enyl)acetamide
PubChem CID69032480
Molecular FormulaC11H16Cl3NO
Molecular Weight284.61 g/mol
Exact Mass283.03
IUPAC Name2,2,2-trichloro-N-(1-cyclohexylprop-2-enyl)acetamide
SMILESC=CC(NC(=O)C(Cl)(Cl)Cl)C1CCCCC1
InChIInChI=1S/C11H16Cl3NO/c1-2-9(8-6-4-3-5-7-8)15-10(16)11(12,13)14/h2,8-9H,1,3-7H2,(H,15,16)
InChIKeyDKLVZVNELGPEEF-UHFFFAOYSA-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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Related Compounds

2,2,2-trichloro-N-[(1R)-1-cyclohexylprop-2-enyl]acetamide
CID 11161926
2,2,2-trichloro-N-[(3S)-5-methylhex-1-en-3-yl]acetamide
CID 11322887
2,2,2-trichloro-N-dec-1-en-3-ylacetamide
CID 101452024
2,2,2-trichloro-N-[(3R)-5-methylhex-1-en-3-yl]acetamide
CID 101759825
2,2,2-trichloro-N-[(1s,5s)-5-isopropenyl-2-methylcyclohex-2-en-1-yl)acetamide
CID 129739725
N-[(1S,2S)-2-prop-2-enylcyclohexyl]acetamide
CID 134862425
N-[(1R,2R)-2-prop-2-enylcyclohexyl]prop-2-enamide
CID 135045191
2,2,2-trichloro-N-[(E)-3-cyclohexylprop-2-enyl]acetamide
CID 164670664
N-(3-bicyclo[3.3.1]non-6-enyl)-2,2,2-trichloroacetamide
CID 68636753
2,2,2-trichloro-N-[(1S)-1-cyclohexylprop-2-enyl]acetamide
CID 69036832
2,2,2-trichloro-N-[3-(2-methylbut-3-enyl)cyclopentyl]acetamide
CID 70461413
N-(1-cyclohexylprop-2-enyl)acetamide
CID 139625618

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(1-cyclohexylprop-2-enyl)acetamide?
The IUPAC name of 2,2,2-trichloro-N-(1-cyclohexylprop-2-enyl)acetamide (CID 69032480) is 2,2,2-trichloro-N-(1-cyclohexylprop-2-enyl)acetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(1-cyclohexylprop-2-enyl)acetamide?
The canonical SMILES for 2,2,2-trichloro-N-(1-cyclohexylprop-2-enyl)acetamide is C=CC(NC(=O)C(Cl)(Cl)Cl)C1CCCCC1.
What is the InChIKey of 2,2,2-trichloro-N-(1-cyclohexylprop-2-enyl)acetamide?
The InChIKey is DKLVZVNELGPEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl3NO/c1-2-9(8-6-4-3-5-7-8)15-10(16)11(12,13)14/h2,8-9H,1,3-7H2,(H,15,16).
What are the key properties of 2,2,2-trichloro-N-(1-cyclohexylprop-2-enyl)acetamide?
2,2,2-trichloro-N-(1-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-(1-cyclohexylprop-2-enyl)acetamide is sourced from PubChem (CID 69032480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).