N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide

C14H11Br2NO3 — CID 107722300

IUPACN-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(O)ccc2O)c(Br)c1
InChIInChI=1S/C14H11Br2NO3/c1-7-4-10(15)13(11(16)5-7)17-14(20)9-6-8(18)2-3-12(9)19/h2-6,18-19H,1H3,(H,17,20)
InChIKeyDEXLVPRNFKFURL-UHFFFAOYSA-N
MW401.05 g/mol
LogP4.18
Rot. Bonds2

About N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide

N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide (PubChem CID 107722300) has the molecular formula C14H11Br2NO3 and a molecular weight of 401.05 g/mol. Its IUPAC name is N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide
PubChem CID107722300
Molecular FormulaC14H11Br2NO3
Molecular Weight401.05 g/mol
Exact Mass398.91
IUPAC NameN-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide
SMILESCc1cc(Br)c(NC(=O)c2cc(O)ccc2O)c(Br)c1
InChIInChI=1S/C14H11Br2NO3/c1-7-4-10(15)13(11(16)5-7)17-14(20)9-6-8(18)2-3-12(9)19/h2-6,18-19H,1H3,(H,17,20)
InChIKeyDEXLVPRNFKFURL-UHFFFAOYSA-N
XLogP4.18
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.05
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dibromo-4-methylphenyl)-2-hydroxy-5-iodobenzamide
CID 107731650
N-(2-bromo-4,6-dimethylphenyl)-2-chloro-5-hydroxybenzamide
CID 106501147
2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 2804969
3-chloro-N-(2,6-dibromo-4-methylphenyl)-4-hydroxybenzamide
CID 28881639
3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid
CID 107721654
N-(2,6-difluoro-3-methylphenyl)-2,5-dihydroxybenzamide
CID 107723516
N-(2,6-dibromo-4-methylphenyl)-2-(methylamino)benzamide
CID 61377648
5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977
2,5-dibromo-N-(2,6-dibromo-4-methylphenyl)thiophene-3-carboxamide
CID 114021285
2-bromo-N-(2,6-dibromo-4-methylphenyl)pyridine-3-carboxamide
CID 114036150
5-amino-2-chloro-N-(2,6-dibromo-4-methylphenyl)benzamide
CID 28983950
N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 116813418

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide?
The IUPAC name of N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide (CID 107722300) is N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide.
What is the SMILES notation for N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide?
The canonical SMILES for N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide is Cc1cc(Br)c(NC(=O)c2cc(O)ccc2O)c(Br)c1.
What is the InChIKey of N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide?
The InChIKey is DEXLVPRNFKFURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NO3/c1-7-4-10(15)13(11(16)5-7)17-14(20)9-6-8(18)2-3-12(9)19/h2-6,18-19H,1H3,(H,17,20).
What are the key properties of N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide?
N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide has a molecular weight of 401.05 g/mol, XLogP of 4.18, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide is sourced from PubChem (CID 107722300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).