4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide

C16H15Cl3N2O2 — CID 84553914

IUPAC4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
SMILESNc1ccccc1OCCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H15Cl3N2O2/c17-10-8-12(19)14(9-11(10)18)21-16(22)6-3-7-23-15-5-2-1-4-13(15)20/h1-2,4-5,8-9H,3,6-7,20H2,(H,21,22)
InChIKeyJBIYZJOSFNXOAB-UHFFFAOYSA-N
MW373.67 g/mol
LogP5.03
Rot. Bonds6

About 4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide

4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide (PubChem CID 84553914) has the molecular formula C16H15Cl3N2O2 and a molecular weight of 373.67 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
PubChem CID84553914
Molecular FormulaC16H15Cl3N2O2
Molecular Weight373.67 g/mol
Exact Mass372.02
IUPAC Name4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
SMILESNc1ccccc1OCCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H15Cl3N2O2/c17-10-8-12(19)14(9-11(10)18)21-16(22)6-3-7-23-15-5-2-1-4-13(15)20/h1-2,4-5,8-9H,3,6-7,20H2,(H,21,22)
InChIKeyJBIYZJOSFNXOAB-UHFFFAOYSA-N
XLogP5.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.67
LogP ≤ 55.03
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'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 84553809
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-chloro-4-fluorophenyl)butanamide
CID 84553692
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
4-(2-aminophenoxy)-N-(5-chloro-2-pyridinyl)butanamide
CID 84551760
4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide
CID 84551759
4-(2-aminophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 84553998
4-(4-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 21367956
4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 84553820
4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 84553818
4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 84552154

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide?
The IUPAC name of 4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide (CID 84553914) is 4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide is Nc1ccccc1OCCCC(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide?
The InChIKey is JBIYZJOSFNXOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O2/c17-10-8-12(19)14(9-11(10)18)21-16(22)6-3-7-23-15-5-2-1-4-13(15)20/h1-2,4-5,8-9H,3,6-7,20H2,(H,21,22).
What are the key properties of 4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide?
4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide has a molecular weight of 373.67 g/mol, XLogP of 5.03, 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-(2,4,5-trichlorophenyl)butanamide is sourced from PubChem (CID 84553914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).