N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide

C15H14BrFN2O2 — CID 28971329

IUPACN-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
SMILESCc1ccc(N)cc1NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrFN2O2/c1-9-2-4-11(18)7-13(9)19-15(20)8-21-14-5-3-10(16)6-12(14)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyWZGXCYCOMINEBC-UHFFFAOYSA-N
MW353.19 g/mol
LogP3.50
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide

N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide (PubChem CID 28971329) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
PubChem CID28971329
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC NameN-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
SMILESCc1ccc(N)cc1NC(=O)COc1ccc(Br)cc1F
InChIInChI=1S/C15H14BrFN2O2/c1-9-2-4-11(18)7-13(9)19-15(20)8-21-14-5-3-10(16)6-12(14)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyWZGXCYCOMINEBC-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 43376777
N-(4-amino-2-chlorophenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 28971332
2-(4-bromo-2-fluorophenoxy)-N-(2-bromo-4-methylphenyl)acetamide
CID 26524063
2-(4-bromo-2-fluorophenoxy)-N-[4-(dimethylamino)-2-methylphenyl]acetamide
CID 55709588
N-(5-amino-2-chlorophenyl)-2-(5-bromo-2-fluorophenoxy)acetamide
CID 114671894
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 7500273
N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide
CID 29295025
2-(4-bromo-2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)acetamide
CID 46651554
N-(5-amino-2-fluorophenyl)-2-(2-bromo-4-fluorophenoxy)acetamide
CID 29040391
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide (CID 28971329) is N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide is Cc1ccc(N)cc1NC(=O)COc1ccc(Br)cc1F.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide?
The InChIKey is WZGXCYCOMINEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c1-9-2-4-11(18)7-13(9)19-15(20)8-21-14-5-3-10(16)6-12(14)17/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide?
N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)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 N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide is sourced from PubChem (CID 28971329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).