4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide

C20H22Cl2N2O4 — CID 32943275

IUPAC4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O4/c1-24(2)20(26)13-28-16-8-6-15(7-9-16)23-19(25)4-3-11-27-18-10-5-14(21)12-17(18)22/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,25)
InChIKeyKATTZRYLQGSWPE-UHFFFAOYSA-N
MW425.31 g/mol
LogP4.26
Rot. Bonds9

About 4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide

4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide (PubChem CID 32943275) has the molecular formula C20H22Cl2N2O4 and a molecular weight of 425.31 g/mol. Its IUPAC name is 4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide
PubChem CID32943275
Molecular FormulaC20H22Cl2N2O4
Molecular Weight425.31 g/mol
Exact Mass424.10
IUPAC Name4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide
SMILESCN(C)C(=O)COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H22Cl2N2O4/c1-24(2)20(26)13-28-16-8-6-15(7-9-16)23-19(25)4-3-11-27-18-10-5-14(21)12-17(18)22/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,25)
InChIKeyKATTZRYLQGSWPE-UHFFFAOYSA-N
XLogP4.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 54.26
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-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]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-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(4-fluorophenoxy)butanamide
CID 32945767
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
4-[2-[4-(2,4-dichlorophenoxy)butanoylcarbamothioyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 4501278
[2-(4-methoxyanilino)-2-oxoethyl] 4-(2,4-dichlorophenoxy)butanoate
CID 2357919
4-(2,4-dichlorophenoxy)-N-[[4-(2-methoxyethoxy)phenyl]carbamothioyl]butanamide
CID 17340529
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
4-(4-chloro-2-methylphenoxy)-N-[4-[4-[4-(4-chloro-2-methylphenoxy)butanoylamino]phenoxy]phenyl]butanamide
CID 5198436
N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide
CID 54787916
4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
CID 17271736
4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218213
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242
methyl N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]sulfonylcarbamate
CID 25120990

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide?
The IUPAC name of 4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide (CID 32943275) is 4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide.
What is the SMILES notation for 4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide?
The canonical SMILES for 4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide is CN(C)C(=O)COc1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide?
The InChIKey is KATTZRYLQGSWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4/c1-24(2)20(26)13-28-16-8-6-15(7-9-16)23-19(25)4-3-11-27-18-10-5-14(21)12-17(18)22/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,25).
What are the key properties of 4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide?
4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide has a molecular weight of 425.31 g/mol, XLogP of 4.26, 9 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-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide is sourced from PubChem (CID 32943275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).