2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide

C15H19Cl2NO2 — CID 15137837

IUPAC2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-11(2)15(12-6-4-5-7-13(12)17)18(8-9-20-3)14(19)10-16/h4-7H,8-10H2,1-3H3
InChIKeyTYRFZKNOOHCTOZ-UHFFFAOYSA-N
MW316.23 g/mol
LogP3.80
Rot. Bonds6

About 2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide

2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide (PubChem CID 15137837) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide
PubChem CID15137837
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(C(=O)CCl)C(=C(C)C)c1ccccc1Cl
InChIInChI=1S/C15H19Cl2NO2/c1-11(2)15(12-6-4-5-7-13(12)17)18(8-9-20-3)14(19)10-16/h4-7H,8-10H2,1-3H3
InChIKeyTYRFZKNOOHCTOZ-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pethoxamid
CID 6450826
Chlorbetamide
CID 7330
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4961955
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CID 3056279
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 2526704
N-[(3-chlorophenyl)methyl]-2-methoxy-N-methylacetamide
CID 51072609
US11077113, Example 4
CID 130344641
6-(2-Chlorophenyl)-1-methyl-4-morpholino-pyridin-2-one
CID 130344722
3,5-Dichloro-1-(2-methoxy-ethyl)-6-phenyl-1H-pyrazin-2-one
CID 45271497
2-chloro-N-(2-methoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
CID 13825382
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-pentoxyethyl)acetamide
CID 15137858
2-chloro-N-((3-chlorophenyl)methyl)-N-methylacetamide
CID 7131388

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide (CID 15137837) is 2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide is COCCN(C(=O)CCl)C(=C(C)C)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is TYRFZKNOOHCTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-11(2)15(12-6-4-5-7-13(12)17)18(8-9-20-3)14(19)10-16/h4-7H,8-10H2,1-3H3.
What are the key properties of 2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide?
2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 316.23 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 15137837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).