2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide

C14H11Br2NO2 — CID 103883202

IUPAC2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2Br)ccc1O
InChIInChI=1S/C14H11Br2NO2/c1-8-6-10(3-5-13(8)18)17-14(19)11-4-2-9(15)7-12(11)16/h2-7,18H,1H3,(H,17,19)
InChIKeyMLDOGVAXJISXFV-UHFFFAOYSA-N
MW385.06 g/mol
LogP4.48
Rot. Bonds2

About 2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide

2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide (PubChem CID 103883202) has the molecular formula C14H11Br2NO2 and a molecular weight of 385.06 g/mol. Its IUPAC name is 2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide
PubChem CID103883202
Molecular FormulaC14H11Br2NO2
Molecular Weight385.06 g/mol
Exact Mass382.92
IUPAC Name2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2ccc(Br)cc2Br)ccc1O
InChIInChI=1S/C14H11Br2NO2/c1-8-6-10(3-5-13(8)18)17-14(19)11-4-2-9(15)7-12(11)16/h2-7,18H,1H3,(H,17,19)
InChIKeyMLDOGVAXJISXFV-UHFFFAOYSA-N
XLogP4.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.06
LogP ≤ 54.48
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

5-bromo-N-(4-bromo-3-methylphenyl)-2-hydroxybenzamide
CID 103602071
N-(3-amino-4-methylphenyl)-2,4-dibromobenzamide
CID 107937331
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
2,4-dibromo-N-(3-methyl-4-nitrophenyl)benzamide
CID 103932023
2,4-dibromo-N-(3-methylphenyl)benzamide
CID 103882056
4-bromo-2-hydroxy-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64793271
4-hydroxy-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 103867304
2,4-dibromo-N-(3-bromo-4-chlorophenyl)benzamide
CID 107939196
2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide
CID 114018393
2,4-dibromo-N-(3-fluoro-5-methylphenyl)benzamide
CID 113345345
N-(3-amino-4-chlorophenyl)-2,4-dibromobenzamide
CID 107937325
2-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837189

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide (CID 103883202) is 2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide is Cc1cc(NC(=O)c2ccc(Br)cc2Br)ccc1O.
What is the InChIKey of 2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide?
The InChIKey is MLDOGVAXJISXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO2/c1-8-6-10(3-5-13(8)18)17-14(19)11-4-2-9(15)7-12(11)16/h2-7,18H,1H3,(H,17,19).
What are the key properties of 2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide?
2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide has a molecular weight of 385.06 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide is sourced from PubChem (CID 103883202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).