N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide

C15H14Br2N2O2 — CID 29295025

IUPACN-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide
SMILESCc1ccc(N)cc1NC(=O)COc1c(Br)cccc1Br
InChIInChI=1S/C15H14Br2N2O2/c1-9-5-6-10(18)7-13(9)19-14(20)8-21-15-11(16)3-2-4-12(15)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeySKPJHDFTZWVQLR-UHFFFAOYSA-N
MW414.10 g/mol
LogP4.12
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide

N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide (PubChem CID 29295025) has the molecular formula C15H14Br2N2O2 and a molecular weight of 414.10 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide
PubChem CID29295025
Molecular FormulaC15H14Br2N2O2
Molecular Weight414.10 g/mol
Exact Mass411.94
IUPAC NameN-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide
SMILESCc1ccc(N)cc1NC(=O)COc1c(Br)cccc1Br
InChIInChI=1S/C15H14Br2N2O2/c1-9-5-6-10(18)7-13(9)19-14(20)8-21-15-11(16)3-2-4-12(15)17/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeySKPJHDFTZWVQLR-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

N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397
N-(5-amino-2-methylphenyl)-2-(2,3-dichlorophenoxy)acetamide
CID 28537130
N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
CID 60999928
N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 16782919
N-(5-amino-2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide
CID 120568365
N-(5-amino-2-methylphenyl)-2-(4-bromo-2-fluorophenoxy)acetamide
CID 28971329
N-(2-amino-5-chlorophenyl)-2-(2,6-dibromophenoxy)acetamide
CID 29050775
N-(4-amino-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 100828344
N-(5-amino-2-methylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
CID 16794287
2-(2,6-dibromo-4-formylphenoxy)-N-(2,5-dimethylphenyl)acetamide
CID 126271360
2-(2-bromo-4,6-dimethylphenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 5169100
N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 91689015

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide (CID 29295025) is N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide is Cc1ccc(N)cc1NC(=O)COc1c(Br)cccc1Br.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide?
The InChIKey is SKPJHDFTZWVQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O2/c1-9-5-6-10(18)7-13(9)19-14(20)8-21-15-11(16)3-2-4-12(15)17/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide?
N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)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 N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide is sourced from PubChem (CID 29295025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).