N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide

C16H17BrN2O2 — CID 91689015

IUPACN-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc(Br)cc1N
InChIInChI=1S/C16H17BrN2O2/c1-10-4-3-5-11(2)16(10)21-9-15(20)19-14-7-6-12(17)8-13(14)18/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyYJKBJKVDVPPYPM-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.67
Rot. Bonds4

About N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide

N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 91689015) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide
PubChem CID91689015
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCc1cccc(C)c1OCC(=O)Nc1ccc(Br)cc1N
InChIInChI=1S/C16H17BrN2O2/c1-10-4-3-5-11(2)16(10)21-9-15(20)19-14-7-6-12(17)8-13(14)18/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyYJKBJKVDVPPYPM-UHFFFAOYSA-N
XLogP3.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.67
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-(2-amino-4-chlorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 28867327
N-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 91689021
N-(2-amino-4-bromophenyl)-2-(4-chloro-3,5-dimethylphenoxy)acetamide
CID 91689078
N-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
N-(2-amino-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 43376385
N-(4-amino-2-bromo-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 100828331
N-(4-bromo-2-methylphenyl)-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 3489380
N-(2,5-difluorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 2711364
N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 838186
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481
N-(4-bromo-2-methylphenyl)-2-naphthalen-1-yloxyacetamide
CID 1325558
N-(2-amino-4-bromophenyl)-2-(3,4-dimethylphenyl)acetamide
CID 62552957

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide (CID 91689015) is N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide is Cc1cccc(C)c1OCC(=O)Nc1ccc(Br)cc1N.
What is the InChIKey of N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is YJKBJKVDVPPYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10-4-3-5-11(2)16(10)21-9-15(20)19-14-7-6-12(17)8-13(14)18/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide?
N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 91689015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).