4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide

C16H16Cl2N2O2 — CID 84553809

IUPAC4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide
SMILESNc1ccccc1OCCCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O2/c17-12-8-7-11(10-13(12)18)20-16(21)6-3-9-22-15-5-2-1-4-14(15)19/h1-2,4-5,7-8,10H,3,6,9,19H2,(H,20,21)
InChIKeyNWNZLPIYTGMDII-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.37
Rot. Bonds6

About 4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide

4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide (PubChem CID 84553809) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide
PubChem CID84553809
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide
SMILESNc1ccccc1OCCCC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H16Cl2N2O2/c17-12-8-7-11(10-13(12)18)20-16(21)6-3-9-22-15-5-2-1-4-14(15)19/h1-2,4-5,7-8,10H,3,6,9,19H2,(H,20,21)
InChIKeyNWNZLPIYTGMDII-UHFFFAOYSA-N
XLogP4.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 84553692
4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 84553914
4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 84553818
4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 84553820
4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide
CID 84551757
2-chloro-4-[4-(2-fluorophenoxy)butanoylamino]benzamide
CID 47068143
4-(2-aminophenoxy)-N-(5-chloro-2-pyridinyl)butanamide
CID 84551760
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
4-(2-aminophenoxy)-N-(2-chloro-3-pyridinyl)butanamide
CID 84551755
4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 84552154
4-amino-N-(3,4-dichlorophenyl)butanamide;hydrochloride
CID 119262031
4-(4-tert-butylphenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 19173834

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide?
The IUPAC name of 4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide (CID 84553809) is 4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide is Nc1ccccc1OCCCC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide?
The InChIKey is NWNZLPIYTGMDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c17-12-8-7-11(10-13(12)18)20-16(21)6-3-9-22-15-5-2-1-4-14(15)19/h1-2,4-5,7-8,10H,3,6,9,19H2,(H,20,21).
What are the key properties of 4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide?
4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide has a molecular weight of 339.22 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide is sourced from PubChem (CID 84553809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).