2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide

C13H15Cl4NO2 — CID 3056279

IUPAC2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide
SMILESCCOCCN(Cc1ccc(Cl)cc1Cl)C(=O)C(Cl)Cl
InChIInChI=1S/C13H15Cl4NO2/c1-2-20-6-5-18(13(19)12(16)17)8-9-3-4-10(14)7-11(9)15/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyNPQCLIBXYVWAES-UHFFFAOYSA-N
MW359.08 g/mol
LogP4.16
Rot. Bonds7

About 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide

2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide (PubChem CID 3056279) has the molecular formula C13H15Cl4NO2 and a molecular weight of 359.08 g/mol. Its IUPAC name is 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide
PubChem CID3056279
Molecular FormulaC13H15Cl4NO2
Molecular Weight359.08 g/mol
Exact Mass356.99
IUPAC Name2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide
SMILESCCOCCN(Cc1ccc(Cl)cc1Cl)C(=O)C(Cl)Cl
InChIInChI=1S/C13H15Cl4NO2/c1-2-20-6-5-18(13(19)12(16)17)8-9-3-4-10(14)7-11(9)15/h3-4,7,12H,2,5-6,8H2,1H3
InChIKeyNPQCLIBXYVWAES-UHFFFAOYSA-N
XLogP4.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.08
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Chlorbetamide
CID 7330
2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4961955
2-chloro-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 2392232
N-[(2,6-dichlorophenyl)methyl]-N-methylacetamide
CID 118987240
2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide
CID 15137837
2-chloro-N-[1-(3-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide
CID 15137838
2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide
CID 15137839
(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)pent-2-enamide
CID 76323268
(E)-4-chloro-N-[(4-chlorophenyl)methyl]-N-(2-ethoxyethyl)pent-2-enamide
CID 76334106
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N-(2-methoxyethyl)acetamide
CID 39403186
N-[(2-chloro-6-fluorophenyl)methyl]-2-ethoxy-N-methylacetamide
CID 60636093

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide?
The IUPAC name of 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide (CID 3056279) is 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide is CCOCCN(Cc1ccc(Cl)cc1Cl)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide?
The InChIKey is NPQCLIBXYVWAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl4NO2/c1-2-20-6-5-18(13(19)12(16)17)8-9-3-4-10(14)7-11(9)15/h3-4,7,12H,2,5-6,8H2,1H3.
What are the key properties of 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide?
2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide has a molecular weight of 359.08 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide is sourced from PubChem (CID 3056279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).