2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide

C20H28Cl4N2O4 — CID 21723

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IUPAC2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide
SMILESCCOCCN(Cc1ccc(CN(CCOCC)C(=O)C(Cl)Cl)cc1)C(=O)C(Cl)Cl
InChIInChI=1S/C20H28Cl4N2O4/c1-3-29-11-9-25(19(27)17(21)22)13-15-5-7-16(8-6-15)14-26(10-12-30-4-2)20(28)18(23)24/h5-8,17-18H,3-4,9-14H2,1-2H3
InChIKeyMSJLJWCAEPENBL-UHFFFAOYSA-N
MW502.27 g/mol
LogP4.02
Rot. Bonds14

About 2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide

2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide (PubChem CID 21723) has the molecular formula C20H28Cl4N2O4 and a molecular weight of 502.27 g/mol. Its IUPAC name is 2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide
PubChem CID21723
Molecular FormulaC20H28Cl4N2O4
Molecular Weight502.27 g/mol
Exact Mass500.08
IUPAC Name2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide
SMILESCCOCCN(Cc1ccc(CN(CCOCC)C(=O)C(Cl)Cl)cc1)C(=O)C(Cl)Cl
InChIInChI=1S/C20H28Cl4N2O4/c1-3-29-11-9-25(19(27)17(21)22)13-15-5-7-16(8-6-15)14-26(10-12-30-4-2)20(28)18(23)24/h5-8,17-18H,3-4,9-14H2,1-2H3
InChIKeyMSJLJWCAEPENBL-UHFFFAOYSA-N
XLogP4.02
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.27
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide with MolForge

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Related Compounds

Pethoxamid
CID 6450826
Acetamide, N,N'-(1,4-phenylenebis(methylene))bis(2,2-dichloro-N-ethyl-
CID 15128
N,N'-(p-Phenylenedimethylene)bis(2-chloro-N-isopropylacetamide)
CID 229748
Acetamide, 2,2-dichloro-N-(2-hydroxyethyl)-N-(p-methylbenzyl)-
CID 198962
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-methyl-N-((4-methylphenyl)methyl)acetamide
CID 2450177
2-chloro-N-[(4-methylphenyl)methyl]-N-propylacetamide
CID 9533917
2-chloro-N-(2-methoxyethyl)-N-(1-phenylethenyl)acetamide
CID 13825389
2-chloro-N-(3-methoxypropyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
CID 13825401
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-ynoxyethyl)acetamide
CID 14229850
2-chloro-N-(2-methyl-1-phenylprop-1-enyl)-N-(2-prop-2-enoxyethyl)acetamide
CID 14229851

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide?
The IUPAC name of 2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide (CID 21723) is 2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide is CCOCCN(Cc1ccc(CN(CCOCC)C(=O)C(Cl)Cl)cc1)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide?
The InChIKey is MSJLJWCAEPENBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl4N2O4/c1-3-29-11-9-25(19(27)17(21)22)13-15-5-7-16(8-6-15)14-26(10-12-30-4-2)20(28)18(23)24/h5-8,17-18H,3-4,9-14H2,1-2H3.
What are the key properties of 2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide?
2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide has a molecular weight of 502.27 g/mol, XLogP of 4.02, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[[4-[[(2,2-dichloroacetyl)-(2-ethoxyethyl)amino]methyl]phenyl]methyl]-N-(2-ethoxyethyl)acetamide is sourced from PubChem (CID 21723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).