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

C19H19Cl4NO2 — CID 42657339

IUPAC2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CN(CCc2ccc(Cl)cc2Cl)C(=O)C(Cl)Cl)cc1
InChIInChI=1S/C19H19Cl4NO2/c1-2-26-16-7-3-13(4-8-16)12-24(19(25)18(22)23)10-9-14-5-6-15(20)11-17(14)21/h3-8,11,18H,2,9-10,12H2,1H3
InChIKeyQTYCNGWOMWHFGV-UHFFFAOYSA-N
MW435.18 g/mol
LogP5.77
Rot. Bonds8

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

2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide (PubChem CID 42657339) has the molecular formula C19H19Cl4NO2 and a molecular weight of 435.18 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide
PubChem CID42657339
Molecular FormulaC19H19Cl4NO2
Molecular Weight435.18 g/mol
Exact Mass433.02
IUPAC Name2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide
SMILESCCOc1ccc(CN(CCc2ccc(Cl)cc2Cl)C(=O)C(Cl)Cl)cc1
InChIInChI=1S/C19H19Cl4NO2/c1-2-26-16-7-3-13(4-8-16)12-24(19(25)18(22)23)10-9-14-5-6-15(20)11-17(14)21/h3-8,11,18H,2,9-10,12H2,1H3
InChIKeyQTYCNGWOMWHFGV-UHFFFAOYSA-N
XLogP5.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.18
LogP ≤ 55.77
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

N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]pentanamide
CID 42709118
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-methylphenyl)methyl]-2-phenylbutanamide
CID 42709041
N-[(4-butoxyphenyl)methyl]-N-(3-butoxypropyl)-2,2-dichloroacetamide
CID 154381705
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide
CID 55583785
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 6107010
ethyl 4-[2-(2,4-dichlorophenyl)ethyl-[(3,4-dimethoxyphenyl)methyl]amino]-4-oxobutanoate
CID 42709217
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylacetamide
CID 57456389
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-dimethyl-N-[(4-nitrophenyl)methyl]propanamide
CID 1061069
2,4-dichloro-N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 24546574
N-[2-(2,4-dichlorophenyl)ethyl]-N-[(3-phenoxyphenyl)methyl]dodecanamide
CID 42702978
N-[2-(2,4-dichlorophenyl)ethyl]-2-phenyl-N-(pyridin-2-ylmethyl)butanamide
CID 42709442

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide?
The IUPAC name of 2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide (CID 42657339) is 2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide is CCOc1ccc(CN(CCc2ccc(Cl)cc2Cl)C(=O)C(Cl)Cl)cc1.
What is the InChIKey of 2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide?
The InChIKey is QTYCNGWOMWHFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl4NO2/c1-2-26-16-7-3-13(4-8-16)12-24(19(25)18(22)23)10-9-14-5-6-15(20)11-17(14)21/h3-8,11,18H,2,9-10,12H2,1H3.
What are the key properties of 2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide?
2,2-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide has a molecular weight of 435.18 g/mol, XLogP of 5.77, 8 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-(2,4-dichlorophenyl)ethyl]-N-[(4-ethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 42657339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).