N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide

C14H12BrNO3 — CID 114343683

IUPACN-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide
SMILESCc1ccc(Br)cc1NC(=O)c1cccc(O)c1O
InChIInChI=1S/C14H12BrNO3/c1-8-5-6-9(15)7-11(8)16-14(19)10-3-2-4-12(17)13(10)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeyFGJHRXUIMWJCMC-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.42
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide

N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide (PubChem CID 114343683) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide
PubChem CID114343683
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC NameN-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide
SMILESCc1ccc(Br)cc1NC(=O)c1cccc(O)c1O
InChIInChI=1S/C14H12BrNO3/c1-8-5-6-9(15)7-11(8)16-14(19)10-3-2-4-12(17)13(10)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeyFGJHRXUIMWJCMC-UHFFFAOYSA-N
XLogP3.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide
CID 107688790
N-(5-bromo-2-fluorophenyl)-2,3-dihydroxybenzamide
CID 114343963
N-(5-bromo-2-chlorophenyl)-2,3-dihydroxybenzamide
CID 114343698
N-(4-bromo-2-ethylphenyl)-2,3-dihydroxybenzamide
CID 114343713
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide
CID 43805804
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzamide
CID 61375909
N-(5-carbamothioyl-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343622
N-(5-bromo-2-methylphenyl)quinoxaline-5-carboxamide
CID 104577636
N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
N-(5-bromo-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47308279
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide (CID 114343683) is N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide is Cc1ccc(Br)cc1NC(=O)c1cccc(O)c1O.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide?
The InChIKey is FGJHRXUIMWJCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-8-5-6-9(15)7-11(8)16-14(19)10-3-2-4-12(17)13(10)18/h2-7,17-18H,1H3,(H,16,19).
What are the key properties of N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide?
N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide has a molecular weight of 322.16 g/mol, XLogP of 3.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide is sourced from PubChem (CID 114343683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).