2-(3,4-dichloroanilino)-N,N-diethylpropanamide

C13H18Cl2N2O — CID 23317113

IUPAC2-(3,4-dichloroanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-4-17(5-2)13(18)9(3)16-10-6-7-11(14)12(15)8-10/h6-9,16H,4-5H2,1-3H3
InChIKeyWMZOUBDYQLLNRG-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.66
Rot. Bonds5

About 2-(3,4-dichloroanilino)-N,N-diethylpropanamide

2-(3,4-dichloroanilino)-N,N-diethylpropanamide (PubChem CID 23317113) has the molecular formula C13H18Cl2N2O and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-(3,4-dichloroanilino)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(3,4-dichloroanilino)-N,N-diethylpropanamide
PubChem CID23317113
Molecular FormulaC13H18Cl2N2O
Molecular Weight289.21 g/mol
Exact Mass288.08
IUPAC Name2-(3,4-dichloroanilino)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O/c1-4-17(5-2)13(18)9(3)16-10-6-7-11(14)12(15)8-10/h6-9,16H,4-5H2,1-3H3
InChIKeyWMZOUBDYQLLNRG-UHFFFAOYSA-N
XLogP3.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichloroanilino)-N,N-diethylpropanamide 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-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide
CID 102824371
2-(4-amino-3-methylanilino)-N,N-diethylpropanamide
CID 113408308
(2R)-2-(3,4-dichloroanilino)propanoate
CID 7855671
2-(3,5-dimethylanilino)-N,N-diethylpropanamide
CID 43113083
N,N-diethyl-2-(4-methoxyanilino)propanamide
CID 43112882
(2R)-2-(3,4-dichloroanilino)propanehydrazide
CID 946902
2-(3,4-dichloroanilino)-N-(3,4-dihydroxybutyl)-N-(2,2-dimethoxyethyl)propanamide
CID 66782833
N,N-diethyl-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 43114034
N,N-diethyl-2-(3-methoxyanilino)propanamide
CID 43112833
2-(3,4-dichloroanilino)-N-(methylcarbamoyl)propanamide
CID 43084686
2-[(2,5-dichloropyrimidin-4-yl)amino]-N,N-diethylpropanamide
CID 113408737
methyl 2-[2-(3,4-dichloroanilino)propanoylamino]propanoate
CID 18380258

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloroanilino)-N,N-diethylpropanamide?
The IUPAC name of 2-(3,4-dichloroanilino)-N,N-diethylpropanamide (CID 23317113) is 2-(3,4-dichloroanilino)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(3,4-dichloroanilino)-N,N-diethylpropanamide?
The canonical SMILES for 2-(3,4-dichloroanilino)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichloroanilino)-N,N-diethylpropanamide?
The InChIKey is WMZOUBDYQLLNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O/c1-4-17(5-2)13(18)9(3)16-10-6-7-11(14)12(15)8-10/h6-9,16H,4-5H2,1-3H3.
What are the key properties of 2-(3,4-dichloroanilino)-N,N-diethylpropanamide?
2-(3,4-dichloroanilino)-N,N-diethylpropanamide has a molecular weight of 289.21 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloroanilino)-N,N-diethylpropanamide is sourced from PubChem (CID 23317113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).