4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide

C16H17BrN2O2 — CID 107722490

IUPAC4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Oc2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C16H17BrN2O2/c1-9-6-12(7-10(2)15(9)17)21-14-8-11(16(20)19-3)4-5-13(14)18/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyZWIDFCWEQHFYFT-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.80
Rot. Bonds3

About 4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide

4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide (PubChem CID 107722490) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide
PubChem CID107722490
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(Oc2cc(C)c(Br)c(C)c2)c1
InChIInChI=1S/C16H17BrN2O2/c1-9-6-12(7-10(2)15(9)17)21-14-8-11(16(20)19-3)4-5-13(14)18/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyZWIDFCWEQHFYFT-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.80
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

4-amino-N-methyl-3-phenoxybenzamide
CID 63357107
4-amino-N-methyl-3-(3-methylphenoxy)benzamide
CID 63357062
4-amino-3-(3,4-difluorophenoxy)-N-methylbenzamide
CID 63357499
3-amino-4-(3,5-dimethylphenoxy)-N-methylbenzamide
CID 83000237
3-amino-4-(4-bromophenoxy)-N-methylbenzamide
CID 82999872
2-(4-bromo-3,5-dimethylphenoxy)-4-fluoroaniline
CID 107722631
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
4-amino-3-(2-chloro-4-methylphenoxy)-N-methylbenzamide
CID 63357199
4-amino-3-(2-fluoro-5-methylphenoxy)-N-methylbenzamide
CID 64855361
4-amino-3-(2,5-dimethylpyrazol-3-yl)oxy-N-methylbenzamide
CID 81342274
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
3-amino-4-(4-ethoxyphenoxy)-N-methylbenzamide
CID 82992417

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide?
The IUPAC name of 4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide (CID 107722490) is 4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide?
The canonical SMILES for 4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide is CNC(=O)c1ccc(N)c(Oc2cc(C)c(Br)c(C)c2)c1.
What is the InChIKey of 4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide?
The InChIKey is ZWIDFCWEQHFYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-9-6-12(7-10(2)15(9)17)21-14-8-11(16(20)19-3)4-5-13(14)18/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of 4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide?
4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide has a molecular weight of 349.23 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-bromo-3,5-dimethylphenoxy)-N-methylbenzamide is sourced from PubChem (CID 107722490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).