N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide

C20H22Cl2N2O3 — CID 26161184

IUPACN-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H22Cl2N2O3/c1-2-3-4-8-19(25)23-15-6-5-7-16(12-15)24-20(26)13-27-18-10-9-14(21)11-17(18)22/h5-7,9-12H,2-4,8,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyJJHAFORAVIQIQN-UHFFFAOYSA-N
MW409.31 g/mol
LogP5.53
Rot. Bonds9

About N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide

N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide (PubChem CID 26161184) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide.

Molecular Properties

Compound NameN-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide
PubChem CID26161184
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC NameN-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C20H22Cl2N2O3/c1-2-3-4-8-19(25)23-15-6-5-7-16(12-15)24-20(26)13-27-18-10-9-14(21)11-17(18)22/h5-7,9-12H,2-4,8,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyJJHAFORAVIQIQN-UHFFFAOYSA-N
XLogP5.53
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.31
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide 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-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]butanamide
CID 1361275
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]pentanamide
CID 4926287
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 601178
2-(2-chloro-4-methylphenoxy)-N-(3-chlorophenyl)acetamide
CID 161150821
pentyl 4-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzoate
CID 19169101
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828
1-N',9-N'-bis[2-(2,4-dichlorophenoxy)acetyl]nonanedihydrazide
CID 4513160
2-(2,4-dichlorophenoxy)-N-(3-sulfamoylphenyl)acetamide
CID 9413124
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl] acetate
CID 17341804
N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
CID 38324971

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide?
The IUPAC name of N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide (CID 26161184) is N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide.
What is the SMILES notation for N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide?
The canonical SMILES for N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide is CCCCCC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide?
The InChIKey is JJHAFORAVIQIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c1-2-3-4-8-19(25)23-15-6-5-7-16(12-15)24-20(26)13-27-18-10-9-14(21)11-17(18)22/h5-7,9-12H,2-4,8,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide?
N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide has a molecular weight of 409.31 g/mol, XLogP of 5.53, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]hexanamide is sourced from PubChem (CID 26161184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).