2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide

C14H11BrF2N2O2 — CID 65467316

IUPAC2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide
SMILESNc1ccccc1OCC(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H11BrF2N2O2/c15-8-5-9(16)14(10(17)6-8)19-13(20)7-21-12-4-2-1-3-11(12)18/h1-6H,7,18H2,(H,19,20)
InChIKeyVVGQDAYIVAKHRD-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.33
Rot. Bonds4

About 2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide

2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide (PubChem CID 65467316) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide
PubChem CID65467316
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide
SMILESNc1ccccc1OCC(=O)Nc1c(F)cc(Br)cc1F
InChIInChI=1S/C14H11BrF2N2O2/c15-8-5-9(16)14(10(17)6-8)19-13(20)7-21-12-4-2-1-3-11(12)18/h1-6H,7,18H2,(H,19,20)
InChIKeyVVGQDAYIVAKHRD-UHFFFAOYSA-N
XLogP3.33
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.33
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-aminophenoxy)-N-(2-bromo-5-fluorophenyl)acetamide
CID 107624236
2-(2-aminophenoxy)-N-(3-bromo-5-methylphenyl)acetamide
CID 107581639
2-(2-aminophenoxy)-N-(4-fluorophenyl)acetamide
CID 16789642
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
2-(2-aminophenoxy)-N-(4-bromo-2-ethylphenyl)acetamide
CID 81289571
2-(2-aminophenoxy)-N-(4-bromo-3-methoxyphenyl)acetamide
CID 82858985
2-(2-aminophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 16781117
2-(2-amino-4-fluorophenoxy)-N-(2-bromophenyl)acetamide
CID 62368515
2-(2-aminophenoxy)-N-pyrimidin-2-ylacetamide
CID 24701689
N-(2-aminophenyl)-2-(2,4-dibromophenoxy)acetamide
CID 64720408
2-(2-aminophenoxy)-N-[(2-bromo-5-fluorophenyl)methyl]acetamide
CID 61140407
2-(4-bromo-2-formylphenoxy)-N-(2,6-difluorophenyl)acetamide
CID 7820166

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide (CID 65467316) is 2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide is Nc1ccccc1OCC(=O)Nc1c(F)cc(Br)cc1F.
What is the InChIKey of 2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide?
The InChIKey is VVGQDAYIVAKHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c15-8-5-9(16)14(10(17)6-8)19-13(20)7-21-12-4-2-1-3-11(12)18/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide?
2-(2-aminophenoxy)-N-(4-bromo-2,6-difluorophenyl)acetamide has a molecular weight of 357.15 g/mol, XLogP of 3.33, 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-(4-bromo-2,6-difluorophenyl)acetamide is sourced from PubChem (CID 65467316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).