2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide

C14H12BrFN2O2 — CID 107624236

IUPAC2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide
SMILESNc1ccccc1OCC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C14H12BrFN2O2/c15-10-6-5-9(16)7-12(10)18-14(19)8-20-13-4-2-1-3-11(13)17/h1-7H,8,17H2,(H,18,19)
InChIKeyAYEBUPWTAFSANQ-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.19
Rot. Bonds4

About 2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide

2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide (PubChem CID 107624236) has the molecular formula C14H12BrFN2O2 and a molecular weight of 339.16 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide
PubChem CID107624236
Molecular FormulaC14H12BrFN2O2
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide
SMILESNc1ccccc1OCC(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C14H12BrFN2O2/c15-10-6-5-9(16)7-12(10)18-14(19)8-20-13-4-2-1-3-11(13)17/h1-7H,8,17H2,(H,18,19)
InChIKeyAYEBUPWTAFSANQ-UHFFFAOYSA-N
XLogP3.19
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide
CID 62368515
2-(2-aminophenyl)-N-(2-bromo-5-fluorophenyl)acetamide
CID 103832912
2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 61140407
2-(2-aminophenoxy)-N-(4-fluorophenyl)acetamide
CID 16789642
2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide
CID 65467316
2-(2-bromo-5-fluorophenoxy)-N-(2-chlorophenyl)acetamide
CID 81496110
2-(2-amino-4-fluorophenoxy)-N-(2-methylphenyl)acetamide
CID 62368683
2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide
CID 81289571
2-(2-aminophenoxy)-N-(4-bromo-3-methoxyphenyl)acetamide
CID 82858985
N-(2-amino-5-fluorophenyl)-2-(5-bromo-2-fluorophenoxy)acetamide
CID 114671905
N-(2-amino-4-fluorophenyl)-2-(2-methylphenoxy)acetamide
CID 16792862
2-(2-aminophenoxy)-N-(2-bromo-3-chlorophenyl)acetamide
CID 103477091

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide (CID 107624236) is 2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide is Nc1ccccc1OCC(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of 2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide?
The InChIKey is AYEBUPWTAFSANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN2O2/c15-10-6-5-9(16)7-12(10)18-14(19)8-20-13-4-2-1-3-11(13)17/h1-7H,8,17H2,(H,18,19).
What are the key properties of 2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide?
2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide has a molecular weight of 339.16 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide is sourced from PubChem (CID 107624236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).