4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide

C9H11BrN2O2 — CID 172571299

IUPAC4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(O)c1Br
InChIInChI=1S/C9H11BrN2O2/c1-12(2)9(14)5-3-4-6(11)8(13)7(5)10/h3-4,13H,11H2,1-2H3
InChIKeyOAFKEUBBHYXNRR-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.44
Rot. Bonds1

About 4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide

4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide (PubChem CID 172571299) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide
PubChem CID172571299
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)c(O)c1Br
InChIInChI=1S/C9H11BrN2O2/c1-12(2)9(14)5-3-4-6(11)8(13)7(5)10/h3-4,13H,11H2,1-2H3
InChIKeyOAFKEUBBHYXNRR-UHFFFAOYSA-N
XLogP1.44
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide (CID 172571299) is 4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)c(O)c1Br.
What is the InChIKey of 4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide?
The InChIKey is OAFKEUBBHYXNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-12(2)9(14)5-3-4-6(11)8(13)7(5)10/h3-4,13H,11H2,1-2H3.
What are the key properties of 4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide?
4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide has a molecular weight of 259.10 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-3-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 172571299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).