4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide

C17H19BrN2O2 — CID 84551757

IUPAC4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide
SMILESCc1cc(NC(=O)CCCOc2ccccc2N)ccc1Br
InChIInChI=1S/C17H19BrN2O2/c1-12-11-13(8-9-14(12)18)20-17(21)7-4-10-22-16-6-3-2-5-15(16)19/h2-3,5-6,8-9,11H,4,7,10,19H2,1H3,(H,20,21)
InChIKeyXYKDCRJXDBXKJV-UHFFFAOYSA-N
MW363.25 g/mol
LogP4.14
Rot. Bonds6

About 4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide

4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide (PubChem CID 84551757) has the molecular formula C17H19BrN2O2 and a molecular weight of 363.25 g/mol. Its IUPAC name is 4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide
PubChem CID84551757
Molecular FormulaC17H19BrN2O2
Molecular Weight363.25 g/mol
Exact Mass362.06
IUPAC Name4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide
SMILESCc1cc(NC(=O)CCCOc2ccccc2N)ccc1Br
InChIInChI=1S/C17H19BrN2O2/c1-12-11-13(8-9-14(12)18)20-17(21)7-4-10-22-16-6-3-2-5-15(16)19/h2-3,5-6,8-9,11H,4,7,10,19H2,1H3,(H,20,21)
InChIKeyXYKDCRJXDBXKJV-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-(3,4-dimethylphenyl)butanamide
CID 84553818
4-(2-aminophenoxy)-N-(3,4-dichlorophenyl)butanamide
CID 84553809
4-(2-aminophenoxy)-N-(2-bromo-4-methylphenyl)butanamide
CID 84551759
4-amino-N-(4-bromo-3-methylphenyl)butanamide
CID 22692281
4-(2-aminophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 84553820
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 2388095
4-(2-aminophenoxy)-N-(4-chloro-2-methylphenyl)butanamide
CID 84552445
4-(2-aminophenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 84553692
3-(2-aminophenoxy)-N-(4-bromophenyl)propanamide
CID 61091327
4-(2-aminophenoxy)-N-(3,4,5-trimethoxyphenyl)butanamide
CID 84552154
N-[4-(4-bromo-3-methylanilino)-4-oxobutyl]-2-ethoxybenzamide
CID 8500146
2-(2-aminophenoxy)-N-(4-bromo-3-methoxyphenyl)acetamide
CID 82858985

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide?
The IUPAC name of 4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide (CID 84551757) is 4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide.
What is the SMILES notation for 4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide?
The canonical SMILES for 4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide is Cc1cc(NC(=O)CCCOc2ccccc2N)ccc1Br.
What is the InChIKey of 4-(2-aminophenoxy)-N-(4-bromo-3-methylphenyl)butanamide?
The InChIKey is XYKDCRJXDBXKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O2/c1-12-11-13(8-9-14(12)18)20-17(21)7-4-10-22-16-6-3-2-5-15(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-(4-bromo-3-methylphenyl)butanamide?
4-(2-aminophenoxy)-N-(4-bromo-3-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-(4-bromo-3-methylphenyl)butanamide is sourced from PubChem (CID 84551757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).