4-bromo-3,5-dimethylbenzamide

C9H10BrNO — CID 25417812

IUPAC4-bromo-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1Br
InChIInChI=1S/C9H10BrNO/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H2,11,12)
InChIKeyATWMWAQQPBRPCA-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.16
Rot. Bonds1

About 4-bromo-3,5-dimethylbenzamide

4-bromo-3,5-dimethylbenzamide (PubChem CID 25417812) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 4-bromo-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-bromo-3,5-dimethylbenzamide
PubChem CID25417812
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name4-bromo-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1Br
InChIInChI=1S/C9H10BrNO/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H2,11,12)
InChIKeyATWMWAQQPBRPCA-UHFFFAOYSA-N
XLogP2.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-dimethylbenzamide?
The IUPAC name of 4-bromo-3,5-dimethylbenzamide (CID 25417812) is 4-bromo-3,5-dimethylbenzamide.
What is the SMILES notation for 4-bromo-3,5-dimethylbenzamide?
The canonical SMILES for 4-bromo-3,5-dimethylbenzamide is Cc1cc(C(N)=O)cc(C)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethylbenzamide?
The InChIKey is ATWMWAQQPBRPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H2,11,12).
What are the key properties of 4-bromo-3,5-dimethylbenzamide?
4-bromo-3,5-dimethylbenzamide has a molecular weight of 228.09 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethylbenzamide is sourced from PubChem (CID 25417812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).