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

C11H11Cl4NO2 — CID 7330

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IUPAC2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(C(Cl)Cl)N(CCO)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl4NO2/c12-8-2-1-7(9(13)5-8)6-16(3-4-17)11(18)10(14)15/h1-2,5,10,17H,3-4,6H2
InChIKeySTLZCUYBVPNYED-UHFFFAOYSA-N
MW331.03 g/mol
LogP3.12
Rot. Bonds5

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

2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)acetamide (PubChem CID 7330) has the molecular formula C11H11Cl4NO2 and a molecular weight of 331.03 g/mol. Its IUPAC name is 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)acetamide
PubChem CID7330
Molecular FormulaC11H11Cl4NO2
Molecular Weight331.03 g/mol
Exact Mass328.95
IUPAC Name2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)acetamide
SMILESO=C(C(Cl)Cl)N(CCO)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H11Cl4NO2/c12-8-2-1-7(9(13)5-8)6-16(3-4-17)11(18)10(14)15/h1-2,5,10,17H,3-4,6H2
InChIKeySTLZCUYBVPNYED-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.03
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-N-methylacetamide
CID 4961955
Acetamide, 2,2-dichloro-N-(2,4-dichlorobenzyl)-N-(2-ethoxyethyl)-
CID 3056279
Acetamide, 2,2-dichloro-N-(2-hydroxyethyl)-N-(p-methylbenzyl)-
CID 198962
2-chloro-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 2392232
2-[(2,4-Dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 35268423
N-[(2,6-dichlorophenyl)methyl]-2-hydroxyacetamide
CID 118987239
2-[(2,6-Dichlorophenyl)methyl-(2-hydroxyethyl)amino]ethanol
CID 782902
2-[(2,4-Dichlorobenzyl)(propyl)amino]ethanol
CID 783306
2-chloro-N-[1-(2-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide
CID 15137837
2-chloro-N-[1-(4-chlorophenyl)-2-methylprop-1-enyl]-N-(2-methoxyethyl)acetamide
CID 15137839
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
N-(2-Hydroxyethyl)-N-propargyl-2,4-dichlorobenzylamine
CID 15398

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)acetamide?
The IUPAC name of 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)acetamide (CID 7330) is 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)acetamide.
What is the SMILES notation for 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)acetamide?
The canonical SMILES for 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)acetamide is O=C(C(Cl)Cl)N(CCO)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)acetamide?
The InChIKey is STLZCUYBVPNYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl4NO2/c12-8-2-1-7(9(13)5-8)6-16(3-4-17)11(18)10(14)15/h1-2,5,10,17H,3-4,6H2.
What are the key properties of 2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)acetamide?
2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 331.03 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 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-hydroxyethyl)acetamide is sourced from PubChem (CID 7330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).