2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide

C15H14Br2N2O2 — CID 61035718

IUPAC2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)COc2cccc(N)c2)c(Br)c1
InChIInChI=1S/C15H14Br2N2O2/c1-9-5-12(16)15(13(17)6-9)19-14(20)8-21-11-4-2-3-10(18)7-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyFQKKEVVCMYDOCA-UHFFFAOYSA-N
MW414.10 g/mol
LogP4.12
Rot. Bonds4

About 2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide

2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide (PubChem CID 61035718) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
PubChem CID61035718
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC Name2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)COc2cccc(N)c2)c(Br)c1
InChIInChI=1S/C15H14Br2N2O2/c1-9-5-12(16)15(13(17)6-9)19-14(20)8-21-11-4-2-3-10(18)7-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyFQKKEVVCMYDOCA-UHFFFAOYSA-N
XLogP4.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.10
LogP ≤ 54.12
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-(3-aminophenoxy)-N-(2,4,6-tribromophenyl)acetamide
CID 61035585
2-(3-aminophenoxy)-N-(2,4-dimethylphenyl)acetamide
CID 39107625
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
2-(3-aminophenoxy)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 61090242
N-(4-amino-2-bromo-6-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 100828316
N-(2,6-dibromo-4-methylphenyl)-2-(4-methylsulfanylphenoxy)acetamide
CID 26217402
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-(3-aminophenoxy)-N-(3-chloro-2-methylphenyl)acetamide
CID 39107715
N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
CID 107722743
N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 100828331
2-(3-aminophenoxy)-N-(2-methylsulfanylphenyl)acetamide
CID 61034938
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 29334504

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide (CID 61035718) is 2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide is Cc1cc(Br)c(NC(=O)COc2cccc(N)c2)c(Br)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide?
The InChIKey is FQKKEVVCMYDOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-9-5-12(16)15(13(17)6-9)19-14(20)8-21-11-4-2-3-10(18)7-11/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of 2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide?
2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide has a molecular weight of 414.10 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide is sourced from PubChem (CID 61035718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).