N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide

C20H20Cl2N2O2 — CID 43911644

IUPACN-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide
SMILESN#CCCN(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl2N2O2/c21-17-9-10-19(18(22)14-17)26-13-4-8-20(25)24(12-5-11-23)15-16-6-2-1-3-7-16/h1-3,6-7,9-10,14H,4-5,8,12-13,15H2
InChIKeyJECRFHYDESBNGK-UHFFFAOYSA-N
MW391.30 g/mol
LogP5.09
Rot. Bonds9

About N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide

N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide (PubChem CID 43911644) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide.

Molecular Properties

Compound NameN-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide
PubChem CID43911644
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC NameN-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide
SMILESN#CCCN(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H20Cl2N2O2/c21-17-9-10-19(18(22)14-17)26-13-4-8-20(25)24(12-5-11-23)15-16-6-2-1-3-7-16/h1-3,6-7,9-10,14H,4-5,8,12-13,15H2
InChIKeyJECRFHYDESBNGK-UHFFFAOYSA-N
XLogP5.09
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.30
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide 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

N,N'-dibenzyl-N,N'-bis(2-cyanoethyl)decanediamide
CID 43911774
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-ethylacetamide
CID 87018263
N-benzyl-N-(2-cyanoethyl)butanamide
CID 43911640
4-(2,4-dichlorophenoxy)-N-ethyl-N-propylbutanamide
CID 162432622
ethyl 3-[benzyl-[4-(2,4-dichlorophenoxy)butanoylcarbamothioyl]amino]propanoate
CID 43910799
N-(2-cyanoethyl)-2-(2,4-dichlorophenoxy)-N-methylacetamide
CID 43213478
4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide
CID 2227481
N-benzyl-2-chloro-N-(2-cyanoethyl)benzamide
CID 43911621
4-(2,4-dichlorophenoxy)-N-(4-phenylbutyl)butanamide
CID 2841932
N-benzyl-3-bromo-N-(2-cyanoethyl)-4-ethoxybenzamide
CID 43911773
N-benzyl-N-[2-[benzyl-[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4667979
methyl 4-[[4-(2,4-dichlorophenoxy)butanoyl-methylamino]methyl]benzoate
CID 52576373

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide?
The IUPAC name of N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide (CID 43911644) is N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide.
What is the SMILES notation for N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide?
The canonical SMILES for N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide is N#CCCN(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide?
The InChIKey is JECRFHYDESBNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c21-17-9-10-19(18(22)14-17)26-13-4-8-20(25)24(12-5-11-23)15-16-6-2-1-3-7-16/h1-3,6-7,9-10,14H,4-5,8,12-13,15H2.
What are the key properties of N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide?
N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide has a molecular weight of 391.30 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-cyanoethyl)-4-(2,4-dichlorophenoxy)butanamide is sourced from PubChem (CID 43911644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).