2-amino-5-bromo-4-methoxy-N-methylbenzamide

C9H11BrN2O2 — CID 167259236

IUPAC2-amino-5-bromo-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(Br)c(OC)cc1N
InChIInChI=1S/C9H11BrN2O2/c1-12-9(13)5-3-6(10)8(14-2)4-7(5)11/h3-4H,11H2,1-2H3,(H,12,13)
InChIKeyJJYAROVSKGACIQ-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.40
Rot. Bonds2

About 2-amino-5-bromo-4-methoxy-N-methylbenzamide

2-amino-5-bromo-4-methoxy-N-methylbenzamide (PubChem CID 167259236) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-amino-5-bromo-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-5-bromo-4-methoxy-N-methylbenzamide
PubChem CID167259236
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-amino-5-bromo-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1cc(Br)c(OC)cc1N
InChIInChI=1S/C9H11BrN2O2/c1-12-9(13)5-3-6(10)8(14-2)4-7(5)11/h3-4H,11H2,1-2H3,(H,12,13)
InChIKeyJJYAROVSKGACIQ-UHFFFAOYSA-N
XLogP1.40
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 51.40
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

2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
propyl 2-amino-5-bromo-4-methoxybenzoate
CID 79401743
(E)-2-amino-1-(2-amino-5-bromo-4-methoxyphenyl)ethenol
CID 165123379
4-amino-2-fluoro-5-methoxy-N-methylbenzamide
CID 89121907
2-amino-4,5-dimethoxy-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 43310299
methyl 2,4-dibromo-5-methoxybenzoate
CID 155293809
2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide
CID 43825333
2-amino-N-(2,4-dibromo-5-methoxyphenyl)benzamide
CID 103410417
4-bromo-5-methoxy-2-methylbenzamide
CID 168987253
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789
4-bromo-3,5-dimethoxy-N-methylbenzamide
CID 47122657
(2-amino-4,5-dimethoxyphenyl)-(3-bromothiophen-2-yl)methanone
CID 80537146

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-methoxy-N-methylbenzamide?
The IUPAC name of 2-amino-5-bromo-4-methoxy-N-methylbenzamide (CID 167259236) is 2-amino-5-bromo-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-amino-5-bromo-4-methoxy-N-methylbenzamide?
The canonical SMILES for 2-amino-5-bromo-4-methoxy-N-methylbenzamide is CNC(=O)c1cc(Br)c(OC)cc1N.
What is the InChIKey of 2-amino-5-bromo-4-methoxy-N-methylbenzamide?
The InChIKey is JJYAROVSKGACIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-12-9(13)5-3-6(10)8(14-2)4-7(5)11/h3-4H,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-5-bromo-4-methoxy-N-methylbenzamide?
2-amino-5-bromo-4-methoxy-N-methylbenzamide has a molecular weight of 259.10 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 167259236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).