N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide

C16H17BrN2O2 — CID 107722743

IUPACN-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(N)c2)cc(C)c1Br
InChIInChI=1S/C16H17BrN2O2/c1-10-6-14(7-11(2)16(10)17)21-9-15(20)19-13-5-3-4-12(18)8-13/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyNTGCNNMAMIQNEX-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.67
Rot. Bonds4

About N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide

N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide (PubChem CID 107722743) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
PubChem CID107722743
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
SMILESCc1cc(OCC(=O)Nc2cccc(N)c2)cc(C)c1Br
InChIInChI=1S/C16H17BrN2O2/c1-10-6-14(7-11(2)16(10)17)21-9-15(20)19-13-5-3-4-12(18)8-13/h3-8H,9,18H2,1-2H3,(H,19,20)
InChIKeyNTGCNNMAMIQNEX-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-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
N-(3-aminophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 43345548
N-(3-aminophenyl)-2-(2-bromo-4-methoxyphenoxy)acetamide
CID 104706751
N-(3-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16788601
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
2-(4-bromo-3,5-dimethylphenoxy)-N-[4-(dimethylamino)phenyl]acetamide
CID 1329079
N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
CID 1329159
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 61035869
2-(3-aminophenoxy)-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 61035718
N-(3-aminophenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 28995366
2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide?
The IUPAC name of N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide (CID 107722743) is N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide is Cc1cc(OCC(=O)Nc2cccc(N)c2)cc(C)c1Br.
What is the InChIKey of N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide?
The InChIKey is NTGCNNMAMIQNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10-6-14(7-11(2)16(10)17)21-9-15(20)19-13-5-3-4-12(18)8-13/h3-8H,9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide?
N-(3-aminophenyl)-2-(4-bromo-3,5-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-(3-aminophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide is sourced from PubChem (CID 107722743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).