4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide

C15H14BrNO2 — CID 777679

IUPAC4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2)c(C)cc1O
InChIInChI=1S/C15H14BrNO2/c1-9-8-14(18)10(2)7-13(9)17-15(19)11-3-5-12(16)6-4-11/h3-8,18H,1-2H3,(H,17,19)
InChIKeyCMUZXRNYZHMNLA-UHFFFAOYSA-N
MW320.19 g/mol
LogP4.02
Rot. Bonds2

About 4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide

4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide (PubChem CID 777679) has the molecular formula C15H14BrNO2 and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
PubChem CID777679
Molecular FormulaC15H14BrNO2
Molecular Weight320.19 g/mol
Exact Mass319.02
IUPAC Name4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2)c(C)cc1O
InChIInChI=1S/C15H14BrNO2/c1-9-8-14(18)10(2)7-13(9)17-15(19)11-3-5-12(16)6-4-11/h3-8,18H,1-2H3,(H,17,19)
InChIKeyCMUZXRNYZHMNLA-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide 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-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
The IUPAC name of 4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide (CID 777679) is 4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide.
What is the SMILES notation for 4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
The canonical SMILES for 4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide is Cc1cc(NC(=O)c2ccc(Br)cc2)c(C)cc1O.
What is the InChIKey of 4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
The InChIKey is CMUZXRNYZHMNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO2/c1-9-8-14(18)10(2)7-13(9)17-15(19)11-3-5-12(16)6-4-11/h3-8,18H,1-2H3,(H,17,19).
What are the key properties of 4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide has a molecular weight of 320.19 g/mol, XLogP of 4.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-hydroxy-2,5-dimethylphenyl)benzamide is sourced from PubChem (CID 777679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).