4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide

C17H19BrN2O2 — CID 84551759

IUPAC4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccccc2N)c(Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-12-8-9-15(13(18)11-12)20-17(21)7-4-10-22-16-6-3-2-5-14(16)19/h2-3,5-6,8-9,11H,4,7,10,19H2,1H3,(H,20,21)
InChIKeyBFZFJUGIJNSEJX-UHFFFAOYSA-N
MW363.25 g/mol
LogP4.14
Rot. Bonds6

About 4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide

4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide (PubChem CID 84551759) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.25 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide
PubChem CID84551759
Molecular FormulaC17H19BrN2O2
Molecular Weight363.25 g/mol
Exact Mass362.06
IUPAC Name4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide
SMILESCc1ccc(NC(=O)CCCOc2ccccc2N)c(Br)c1
InChIInChI=1S/C17H19BrN2O2/c1-12-8-9-15(13(18)11-12)20-17(21)7-4-10-22-16-6-3-2-5-14(16)19/h2-3,5-6,8-9,11H,4,7,10,19H2,1H3,(H,20,21)
InChIKeyBFZFJUGIJNSEJX-UHFFFAOYSA-N
XLogP4.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 54.14
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-(2-methoxy-5-methylphenyl)butanamide
CID 84553998
N-(2-bromo-4-methylphenyl)-4-(4-methylphenoxy)butanamide
CID 7695554
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide
CID 84551757
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
4-(2-bromo-4-methylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 19202702
4-(2-aminophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 84553914
N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 17395169
4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 84553818
N-(2-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
N-(2-bromo-4-butylphenyl)-4-(2,4-dimethylphenoxy)butanamide
CID 53267656

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide?
The IUPAC name of 4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide (CID 84551759) is 4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide is Cc1ccc(NC(=O)CCCOc2ccccc2N)c(Br)c1.
What is the InChIKey of 4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide?
The InChIKey is BFZFJUGIJNSEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-12-8-9-15(13(18)11-12)20-17(21)7-4-10-22-16-6-3-2-5-14(16)19/h2-3,5-6,8-9,11H,4,7,10,19H2,1H3,(H,20,21).
What are the key properties of 4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide?
4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide has a molecular weight of 363.25 g/mol, XLogP of 4.14, 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-bromo-4-methylphenyl)butanamide is sourced from PubChem (CID 84551759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).