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

C15H13BrClNO2 — CID 106834696

IUPAC2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2Br)c(C)cc1O
InChIInChI=1S/C15H13BrClNO2/c1-8-6-14(19)9(2)5-13(8)18-15(20)11-7-10(17)3-4-12(11)16/h3-7,19H,1-2H3,(H,18,20)
InChIKeyTWHVZOFGJRJUGR-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.68
Rot. Bonds2

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

2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide (PubChem CID 106834696) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is 2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
PubChem CID106834696
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
SMILESCc1cc(NC(=O)c2cc(Cl)ccc2Br)c(C)cc1O
InChIInChI=1S/C15H13BrClNO2/c1-8-6-14(19)9(2)5-13(8)18-15(20)11-7-10(17)3-4-12(11)16/h3-7,19H,1-2H3,(H,18,20)
InChIKeyTWHVZOFGJRJUGR-UHFFFAOYSA-N
XLogP4.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trifluoro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide
CID 106834566
2-bromo-N-(2-bromo-4,6-dimethylphenyl)-5-chlorobenzamide
CID 103819127
2-bromo-N-(2-bromo-5-chlorophenyl)-5-methylbenzamide
CID 81270262
2-bromo-N-(4-bromo-3-methylphenyl)-5-chlorobenzamide
CID 113221431
2-bromo-N-(4-chloro-2-fluorophenyl)-5-methylbenzamide
CID 80948575
5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide
CID 106834852
N-(4-bromo-3-methylphenyl)-5-chloro-2-hydroxybenzamide
CID 28532000
N-(2-bromo-5-chlorophenyl)-3-hydroxy-2-methylbenzamide
CID 82829711
N-(2-amino-4-chlorophenyl)-2-bromo-5-methylbenzamide
CID 81109928
2,5-dibromo-N-(4-chloro-2-fluorophenyl)benzamide
CID 114370697
N-(5-amino-2-fluorophenyl)-2-bromo-5-chlorobenzamide
CID 103805312
N-(4-bromo-2,5-difluorophenyl)-5-chloro-2-methylbenzamide
CID 103842699

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
The IUPAC name of 2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide (CID 106834696) is 2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide.
What is the SMILES notation for 2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
The canonical SMILES for 2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide is Cc1cc(NC(=O)c2cc(Cl)ccc2Br)c(C)cc1O.
What is the InChIKey of 2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
The InChIKey is TWHVZOFGJRJUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c1-8-6-14(19)9(2)5-13(8)18-15(20)11-7-10(17)3-4-12(11)16/h3-7,19H,1-2H3,(H,18,20).
What are the key properties of 2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide?
2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide has a molecular weight of 354.63 g/mol, XLogP of 4.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)benzamide is sourced from PubChem (CID 106834696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).