N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide

C14H12BrNO3 — CID 107688790

IUPACN-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide
SMILESCc1ccc(Br)cc1NC(=O)c1c(O)cccc1O
InChIInChI=1S/C14H12BrNO3/c1-8-5-6-9(15)7-10(8)16-14(19)13-11(17)3-2-4-12(13)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeyKIWOMJPUGUEMJG-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.42
Rot. Bonds2

About N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide

N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide (PubChem CID 107688790) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide
PubChem CID107688790
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC NameN-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide
SMILESCc1ccc(Br)cc1NC(=O)c1c(O)cccc1O
InChIInChI=1S/C14H12BrNO3/c1-8-5-6-9(15)7-10(8)16-14(19)13-11(17)3-2-4-12(13)18/h2-7,17-18H,1H3,(H,16,19)
InChIKeyKIWOMJPUGUEMJG-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

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Related Compounds

N-(5-bromo-2-methylphenyl)-2,3-dihydroxybenzamide
CID 114343683
N-(5-bromo-2-methylphenyl)-2-methyl-6-nitrobenzamide
CID 43806323
N-(5-bromo-2-methylphenyl)-3-hydroxy-4-methylbenzamide
CID 43806148
2,6-dihydroxy-N-(2-methylphenyl)benzamide
CID 113347043
N-(5-bromo-2-methylphenyl)-3-iodobenzamide
CID 43806317
2-amino-N-(5-bromo-2-methylphenyl)-3-methylbenzamide
CID 43805804
N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352
2-amino-N-(5-bromo-2-methylphenyl)benzamide
CID 43805810
5-bromo-N-(5-bromo-2-methylphenyl)thiophene-3-carboxamide
CID 43806118
N-(5-bromo-2-methylphenyl)-2-(methylamino)benzamide
CID 61375909
N-(2-amino-4,5-dimethylphenyl)-2,6-dihydroxybenzamide
CID 107687648
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide (CID 107688790) is N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide is Cc1ccc(Br)cc1NC(=O)c1c(O)cccc1O.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide?
The InChIKey is KIWOMJPUGUEMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-8-5-6-9(15)7-10(8)16-14(19)13-11(17)3-2-4-12(13)18/h2-7,17-18H,1H3,(H,16,19).
What are the key properties of N-(5-bromo-2-methylphenyl)-2,6-dihydroxybenzamide?
N-(5-bromo-2-methylphenyl)-2,6-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)-2,6-dihydroxybenzamide is sourced from PubChem (CID 107688790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).