2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide

C15H14BrFN2O2 — CID 107590797

IUPAC2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)COc1ccc(N)cc1
InChIInChI=1S/C15H14BrFN2O2/c1-9-6-13(17)12(16)7-14(9)19-15(20)8-21-11-4-2-10(18)3-5-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyWNWKVJGFCPIJSG-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.50
Rot. Bonds4

About 2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide

2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide (PubChem CID 107590797) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
PubChem CID107590797
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC Name2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
SMILESCc1cc(F)c(Br)cc1NC(=O)COc1ccc(N)cc1
InChIInChI=1S/C15H14BrFN2O2/c1-9-6-13(17)12(16)7-14(9)19-15(20)8-21-11-4-2-10(18)3-5-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyWNWKVJGFCPIJSG-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-aminophenoxy)-N-(4-bromo-2,5-difluorophenyl)acetamide
CID 107608671
2-(4-aminophenoxy)-N-(2-fluoro-5-methylphenyl)acetamide
CID 61094742
2-(4-aminophenoxy)-N-(2,4,5-trifluorophenyl)acetamide
CID 62816214
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107591747
N-(2-amino-4-fluorophenyl)-2-(4-bromo-3-fluorophenoxy)acetamide
CID 65203389
2-(3-aminophenyl)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide
CID 107590864
N-(4-amino-2-methylphenyl)-2-(4-iodophenoxy)acetamide
CID 43144731
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(methylamino)acetamide
CID 107592352
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397
N-(4-amino-5-chloro-2-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 104667598
4-amino-N-(5-bromo-4-fluoro-2-methylphenyl)butanamide
CID 107592166
N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
CID 107171288

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide (CID 107590797) is 2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide is Cc1cc(F)c(Br)cc1NC(=O)COc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide?
The InChIKey is WNWKVJGFCPIJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-9-6-13(17)12(16)7-14(9)19-15(20)8-21-11-4-2-10(18)3-5-11/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide?
2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide has a molecular weight of 353.19 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenoxy)-N-(5-bromo-4-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 107590797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).