3-bromo-4,5-dimethoxybenzamide

C9H10BrNO3 — CID 900808

IUPAC3-bromo-4,5-dimethoxybenzamide
SMILESCOc1cc(C(N)=O)cc(Br)c1OC
InChIInChI=1S/C9H10BrNO3/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,1-2H3,(H2,11,12)
InChIKeyVGULIFJEXBRFIS-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.57
Rot. Bonds3

About 3-bromo-4,5-dimethoxybenzamide

3-bromo-4,5-dimethoxybenzamide (PubChem CID 900808) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 3-bromo-4,5-dimethoxybenzamide.

Molecular Properties

Compound Name3-bromo-4,5-dimethoxybenzamide
PubChem CID900808
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name3-bromo-4,5-dimethoxybenzamide
SMILESCOc1cc(C(N)=O)cc(Br)c1OC
InChIInChI=1S/C9H10BrNO3/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,1-2H3,(H2,11,12)
InChIKeyVGULIFJEXBRFIS-UHFFFAOYSA-N
XLogP1.57
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117464842
4-butoxy-3,5-dimethoxybenzamide
CID 3027029
6-bromo-5-methoxypyridine-3-carboxamide
CID 122362558
4-(3-amino-2-methyl-3-oxopropoxy)-3-bromo-5-methoxybenzoic acid
CID 43622519
3,5-dimethoxy-4-(trideuteriomethyl)benzamide
CID 175729268
3,4,5-tris(trideuteriomethoxy)benzamide
CID 175729183
4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262
4-(1-amino-1-oxobutan-2-yl)oxy-3-bromo-5-methoxybenzoic acid
CID 62899490
N-benzyl-3-bromo-4,5-dimethoxybenzamide
CID 1008056
1-(3-bromo-2,5,6-trimethoxyphenyl)ethanone
CID 117466723
2-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 68886270
3,5-dibromo-2-methoxybenzamide
CID 28665425

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4,5-dimethoxybenzamide?
The IUPAC name of 3-bromo-4,5-dimethoxybenzamide (CID 900808) is 3-bromo-4,5-dimethoxybenzamide.
What is the SMILES notation for 3-bromo-4,5-dimethoxybenzamide?
The canonical SMILES for 3-bromo-4,5-dimethoxybenzamide is COc1cc(C(N)=O)cc(Br)c1OC.
What is the InChIKey of 3-bromo-4,5-dimethoxybenzamide?
The InChIKey is VGULIFJEXBRFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,1-2H3,(H2,11,12).
What are the key properties of 3-bromo-4,5-dimethoxybenzamide?
3-bromo-4,5-dimethoxybenzamide has a molecular weight of 260.09 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4,5-dimethoxybenzamide is sourced from PubChem (CID 900808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).