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

C17H18Cl2N2O — CID 109006897

IUPAC2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-12-4-2-3-5-16(12)21-17(22)11-20-9-8-13-6-7-14(18)10-15(13)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyRXHJLEXWCYUZET-UHFFFAOYSA-N
MW337.25 g/mol
LogP4.07
Rot. Bonds6

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

2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide (PubChem CID 109006897) has the molecular formula C17H18Cl2N2O and a molecular weight of 337.25 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide
PubChem CID109006897
Molecular FormulaC17H18Cl2N2O
Molecular Weight337.25 g/mol
Exact Mass336.08
IUPAC Name2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O/c1-12-4-2-3-5-16(12)21-17(22)11-20-9-8-13-6-7-14(18)10-15(13)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,22)
InChIKeyRXHJLEXWCYUZET-UHFFFAOYSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)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-(2,4-dichlorophenyl)ethylamino]-N-ethylacetamide
CID 28578887
3-(2,4-dichlorophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 100605551
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(4-fluorophenyl)acetamide
CID 109006915
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 109000291
N-[2-(2,4-dichlorophenyl)ethyl]-N'-(2-fluorophenyl)propanediamide
CID 108952631
N-[2-(2,4-dichlorophenyl)ethyl]-2-[2-(2-fluorophenyl)ethylamino]acetamide
CID 109000163
N-(2,4-dichlorophenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996624
N-butyl-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 60672273
1-(2,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 6470856
ethyl 2-[2-(2,4-dichlorophenyl)ethylamino]acetate
CID 28578934
N-(4-chloro-2-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996571
N-[2-(3-chlorophenyl)ethyl]-2-[2-(2,4-dichlorophenyl)ethylamino]acetamide
CID 109006805

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide (CID 109006897) is 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CNCCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide?
The InChIKey is RXHJLEXWCYUZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O/c1-12-4-2-3-5-16(12)21-17(22)11-20-9-8-13-6-7-14(18)10-15(13)19/h2-7,10,20H,8-9,11H2,1H3,(H,21,22).
What are the key properties of 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide?
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide has a molecular weight of 337.25 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)ethylamino]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 109006897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).