4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide

C18H19Cl2NO4 — CID 2282471

IUPAC4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C18H19Cl2NO4/c1-23-16-8-6-13(11-17(16)24-2)21-18(22)4-3-9-25-15-7-5-12(19)10-14(15)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyGEHBBAUSCGBYOG-UHFFFAOYSA-N
MW384.26 g/mol
LogP4.81
Rot. Bonds8

About 4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide

4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide (PubChem CID 2282471) has the molecular formula C18H19Cl2NO4 and a molecular weight of 384.26 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
PubChem CID2282471
Molecular FormulaC18H19Cl2NO4
Molecular Weight384.26 g/mol
Exact Mass383.07
IUPAC Name4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC
InChIInChI=1S/C18H19Cl2NO4/c1-23-16-8-6-13(11-17(16)24-2)21-18(22)4-3-9-25-15-7-5-12(19)10-14(15)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyGEHBBAUSCGBYOG-UHFFFAOYSA-N
XLogP4.81
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)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

4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242
4-(4-acetyl-2-methoxyphenoxy)-N'-[4-(2,4-dichlorophenoxy)butanoyl]butanehydrazide
CID 55741701
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 601178
N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide
CID 54787916
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
CID 17271736
4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218213
4-(2-bromo-4-methylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19201751
4-(4-chloro-3,5-dimethylphenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 19191082
methyl N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]sulfonylcarbamate
CID 25120990
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl] acetate
CID 17341804

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide (CID 2282471) is 4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide is COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OC.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide?
The InChIKey is GEHBBAUSCGBYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO4/c1-23-16-8-6-13(11-17(16)24-2)21-18(22)4-3-9-25-15-7-5-12(19)10-14(15)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide?
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide has a molecular weight of 384.26 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 2282471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).