2-amino-3-bromo-5-methoxy-4-methylbenzamide

C9H11BrN2O2 — CID 172598831

IUPAC2-amino-3-bromo-5-methoxy-4-methylbenzamide
SMILESCOc1cc(C(N)=O)c(N)c(Br)c1C
InChIInChI=1S/C9H11BrN2O2/c1-4-6(14-2)3-5(9(12)13)8(11)7(4)10/h3H,11H2,1-2H3,(H2,12,13)
InChIKeyXWUNMRRXXXVQOR-UHFFFAOYSA-N
MW259.10 g/mol
LogP1.45
Rot. Bonds2

About 2-amino-3-bromo-5-methoxy-4-methylbenzamide

2-amino-3-bromo-5-methoxy-4-methylbenzamide (PubChem CID 172598831) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-amino-3-bromo-5-methoxy-4-methylbenzamide.

Molecular Properties

Compound Name2-amino-3-bromo-5-methoxy-4-methylbenzamide
PubChem CID172598831
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2-amino-3-bromo-5-methoxy-4-methylbenzamide
SMILESCOc1cc(C(N)=O)c(N)c(Br)c1C
InChIInChI=1S/C9H11BrN2O2/c1-4-6(14-2)3-5(9(12)13)8(11)7(4)10/h3H,11H2,1-2H3,(H2,12,13)
InChIKeyXWUNMRRXXXVQOR-UHFFFAOYSA-N
XLogP1.45
TPSA78.34 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 ≤ 51.45
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-bromo-3-fluoro-5-methoxy-2-methylbenzamide
CID 87278963
4-bromo-5-methoxy-2-methylbenzamide
CID 168987253
3-amino-2-chloro-5-methoxy-4-methylbenzoic acid
CID 84681342
2,5-dimethoxy-4-methylbenzamide
CID 82491295
2-bromo-4-chloro-5-methoxybenzamide
CID 68605828
2-bromo-5-methoxy-3,6-dimethylaniline
CID 84736110
3-bromo-5-methoxy-4-methyl-2-nitrobenzoic acid
CID 170317404
3-amino-6-bromo-2-methoxypyridine-4-carboxamide
CID 171566382
3-(bromomethyl)-5-methoxy-4-methyl-2-nitrobenzamide
CID 90083348
4-cyano-5-methoxy-2-methylbenzamide
CID 171031371
4-amino-5-fluoro-2-methoxybenzamide
CID 124706175
5-bromo-3-methoxy-2-methylaniline
CID 27274725

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromo-5-methoxy-4-methylbenzamide?
The IUPAC name of 2-amino-3-bromo-5-methoxy-4-methylbenzamide (CID 172598831) is 2-amino-3-bromo-5-methoxy-4-methylbenzamide.
What is the SMILES notation for 2-amino-3-bromo-5-methoxy-4-methylbenzamide?
The canonical SMILES for 2-amino-3-bromo-5-methoxy-4-methylbenzamide is COc1cc(C(N)=O)c(N)c(Br)c1C.
What is the InChIKey of 2-amino-3-bromo-5-methoxy-4-methylbenzamide?
The InChIKey is XWUNMRRXXXVQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c1-4-6(14-2)3-5(9(12)13)8(11)7(4)10/h3H,11H2,1-2H3,(H2,12,13).
What are the key properties of 2-amino-3-bromo-5-methoxy-4-methylbenzamide?
2-amino-3-bromo-5-methoxy-4-methylbenzamide has a molecular weight of 259.10 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromo-5-methoxy-4-methylbenzamide is sourced from PubChem (CID 172598831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).