2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide

C16H15Cl3N2O — CID 109002904

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CNCCc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl3N2O/c17-12-3-1-11(2-4-12)7-8-20-10-16(22)21-13-5-6-14(18)15(19)9-13/h1-6,9,20H,7-8,10H2,(H,21,22)
InChIKeyQDGOASKLROKZBB-UHFFFAOYSA-N
MW357.67 g/mol
LogP4.42
Rot. Bonds6

About 2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide

2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 109002904) has the molecular formula C16H15Cl3N2O and a molecular weight of 357.67 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide
PubChem CID109002904
Molecular FormulaC16H15Cl3N2O
Molecular Weight357.67 g/mol
Exact Mass356.02
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESO=C(CNCCc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H15Cl3N2O/c17-12-3-1-11(2-4-12)7-8-20-10-16(22)21-13-5-6-14(18)15(19)9-13/h1-6,9,20H,7-8,10H2,(H,21,22)
InChIKeyQDGOASKLROKZBB-UHFFFAOYSA-N
XLogP4.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.67
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
2-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)acetamide
CID 60647462
N-(3,4-dichlorophenyl)-2-(2-hydroxyethylamino)acetamide
CID 82358474
2-[2-(4-chlorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 109002847
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998147
N-(3-chloro-4-methylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002575
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001204
N-(4-chlorophenyl)-2-(3,4-dichloroanilino)acetamide
CID 29294726
N-(3-chloro-4-fluorophenyl)-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000189
N-(4-acetamidophenyl)-2-[2-(3-chlorophenyl)ethylamino]acetamide
CID 109006756
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide (CID 109002904) is 2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide is O=C(CNCCc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is QDGOASKLROKZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O/c17-12-3-1-11(2-4-12)7-8-20-10-16(22)21-13-5-6-14(18)15(19)9-13/h1-6,9,20H,7-8,10H2,(H,21,22).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide?
2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 357.67 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-N-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 109002904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).