N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide

C14H12BrNO3 — CID 107703359

IUPACN-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide
SMILESCc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1Br
InChIInChI=1S/C14H12BrNO3/c1-8-2-3-10(6-13(8)15)16-14(19)9-4-11(17)7-12(18)5-9/h2-7,17-18H,1H3,(H,16,19)
InChIKeyJTUHBOFFMVAZTC-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.42
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide

N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide (PubChem CID 107703359) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide
PubChem CID107703359
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC NameN-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide
SMILESCc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1Br
InChIInChI=1S/C14H12BrNO3/c1-8-2-3-10(6-13(8)15)16-14(19)9-4-11(17)7-12(18)5-9/h2-7,17-18H,1H3,(H,16,19)
InChIKeyJTUHBOFFMVAZTC-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

3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
N-(3-bromo-4-methylphenyl)thiophene-3-carboxamide
CID 55027767
1-N,3-N-bis(3-amino-4-methylphenyl)-5-hydroxybenzene-1,3-dicarboxamide
CID 139753115
N-(4-fluoro-3-methylphenyl)-3,5-dihydroxybenzamide
CID 104938981
3-bromo-N-(3-bromo-4-methylphenyl)-5-fluorobenzamide
CID 63529818
N-(3-bromo-4-methylphenyl)-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 110698722
3-bromo-N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 952306
2-amino-N-(3-bromo-4-methylphenyl)-6-chloropyridine-4-carboxamide
CID 62871680
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 4-hydroxybenzoate
CID 7777348
N-(3-bromo-4-methylphenyl)quinoxaline-6-carboxamide
CID 60730289
N-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
1-(3-bromo-4-methylphenyl)-3-(4-methylphenyl)urea
CID 60728805

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide (CID 107703359) is N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide is Cc1ccc(NC(=O)c2cc(O)cc(O)c2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide?
The InChIKey is JTUHBOFFMVAZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-8-2-3-10(6-13(8)15)16-14(19)9-4-11(17)7-12(18)5-9/h2-7,17-18H,1H3,(H,16,19).
What are the key properties of N-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide?
N-(3-bromo-4-methylphenyl)-3,5-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-(3-bromo-4-methylphenyl)-3,5-dihydroxybenzamide is sourced from PubChem (CID 107703359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).