N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide

C18H19Cl2NO2 — CID 19176295

IUPACN-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide
SMILESCc1ccc(C)c(OCCCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2NO2/c1-12-5-6-13(2)17(10-12)23-9-3-4-18(22)21-16-8-7-14(19)11-15(16)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyMPUFCJFKOZFGCK-UHFFFAOYSA-N
MW352.26 g/mol
LogP5.41
Rot. Bonds6

About N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide

N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide (PubChem CID 19176295) has the molecular formula C18H19Cl2NO2 and a molecular weight of 352.26 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide
PubChem CID19176295
Molecular FormulaC18H19Cl2NO2
Molecular Weight352.26 g/mol
Exact Mass351.08
IUPAC NameN-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide
SMILESCc1ccc(C)c(OCCCC(=O)Nc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C18H19Cl2NO2/c1-12-5-6-13(2)17(10-12)23-9-3-4-18(22)21-16-8-7-14(19)11-15(16)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)
InChIKeyMPUFCJFKOZFGCK-UHFFFAOYSA-N
XLogP5.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.26
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,4-dichlorophenoxy)-N-(2-methyl-4-nitrophenyl)butanamide
CID 2843072
N-(4-chloro-2-fluorophenyl)-4-(2,4-dichlorophenoxy)butanamide
CID 2165687
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495
4-(2,4-dichlorophenoxy)-N'-[2-(2,5-dimethylphenoxy)propanoyl]butanehydrazide
CID 4945005
1-(2,4-dichlorophenyl)-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973750
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
CID 19176294
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
CID 2838387
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide
CID 18226308
4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
CID 2177409

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide (CID 19176295) is N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide is Cc1ccc(C)c(OCCCC(=O)Nc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide?
The InChIKey is MPUFCJFKOZFGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO2/c1-12-5-6-13(2)17(10-12)23-9-3-4-18(22)21-16-8-7-14(19)11-15(16)20/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22).
What are the key properties of N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide?
N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide has a molecular weight of 352.26 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-(2,5-dimethylphenoxy)butanamide is sourced from PubChem (CID 19176295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).