4-bromo-3-methylbenzamide

C8H8BrNO — CID 7020869

IUPAC4-bromo-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1Br
InChIInChI=1S/C8H8BrNO/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H2,10,11)
InChIKeyZPFPOZMNEKPBIF-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.86
Rot. Bonds1

About 4-bromo-3-methylbenzamide

4-bromo-3-methylbenzamide (PubChem CID 7020869) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 4-bromo-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-3-methylbenzamide
PubChem CID7020869
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name4-bromo-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1Br
InChIInChI=1S/C8H8BrNO/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H2,10,11)
InChIKeyZPFPOZMNEKPBIF-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

Analyze 4-bromo-3-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methylbenzamide?
The IUPAC name of 4-bromo-3-methylbenzamide (CID 7020869) is 4-bromo-3-methylbenzamide.
What is the SMILES notation for 4-bromo-3-methylbenzamide?
The canonical SMILES for 4-bromo-3-methylbenzamide is Cc1cc(C(N)=O)ccc1Br.
What is the InChIKey of 4-bromo-3-methylbenzamide?
The InChIKey is ZPFPOZMNEKPBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H2,10,11).
What are the key properties of 4-bromo-3-methylbenzamide?
4-bromo-3-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 4-bromo-3-methylbenzamide is sourced from PubChem (CID 7020869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).