5-bromo-2-methylbenzamide

C8H8BrNO — CID 20616770

IUPAC5-bromo-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(N)=O
InChIInChI=1S/C8H8BrNO/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H2,10,11)
InChIKeyIENXGTOPRPDOAE-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.86
Rot. Bonds1

About 5-bromo-2-methylbenzamide

5-bromo-2-methylbenzamide (PubChem CID 20616770) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 5-bromo-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-2-methylbenzamide
PubChem CID20616770
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name5-bromo-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(N)=O
InChIInChI=1S/C8H8BrNO/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H2,10,11)
InChIKeyIENXGTOPRPDOAE-UHFFFAOYSA-N
XLogP1.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methylbenzamide?
The IUPAC name of 5-bromo-2-methylbenzamide (CID 20616770) is 5-bromo-2-methylbenzamide.
What is the SMILES notation for 5-bromo-2-methylbenzamide?
The canonical SMILES for 5-bromo-2-methylbenzamide is Cc1ccc(Br)cc1C(N)=O.
What is the InChIKey of 5-bromo-2-methylbenzamide?
The InChIKey is IENXGTOPRPDOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H2,10,11).
What are the key properties of 5-bromo-2-methylbenzamide?
5-bromo-2-methylbenzamide has a molecular weight of 214.06 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methylbenzamide is sourced from PubChem (CID 20616770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).