N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide

C13H11BrN2O3 — CID 107721508

IUPACN-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide
SMILESNc1ccc(NC(=O)c2ccc(O)cc2O)cc1Br
InChIInChI=1S/C13H11BrN2O3/c14-10-5-7(1-4-11(10)15)16-13(19)9-3-2-8(17)6-12(9)18/h1-6,17-18H,15H2,(H,16,19)
InChIKeyZLEZGPIOVGKFFM-UHFFFAOYSA-N
MW323.15 g/mol
LogP2.69
Rot. Bonds2

About N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide

N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide (PubChem CID 107721508) has the molecular formula C13H11BrN2O3 and a molecular weight of 323.15 g/mol. Its IUPAC name is N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide
PubChem CID107721508
Molecular FormulaC13H11BrN2O3
Molecular Weight323.15 g/mol
Exact Mass322.00
IUPAC NameN-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide
SMILESNc1ccc(NC(=O)c2ccc(O)cc2O)cc1Br
InChIInChI=1S/C13H11BrN2O3/c14-10-5-7(1-4-11(10)15)16-13(19)9-3-2-8(17)6-12(9)18/h1-6,17-18H,15H2,(H,16,19)
InChIKeyZLEZGPIOVGKFFM-UHFFFAOYSA-N
XLogP2.69
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.15
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-3-bromophenyl)-2-fluoro-4-hydroxybenzamide
CID 107674599
N-(4-amino-3-fluorophenyl)-2,4-dihydroxybenzamide
CID 107721506
2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide
CID 107075499
N-(3-amino-4-bromophenyl)-2-hydroxy-4-methoxybenzamide
CID 79768120
N-(4-amino-3-bromophenyl)-3-hydroxybenzamide
CID 82861483
N-(3-amino-4-bromophenyl)-2-hydroxybenzamide
CID 79767428
N-(4-amino-3-bromophenyl)-2,5-dibromobenzamide
CID 114367768
N-[4-(bromomethyl)phenyl]-2,4-dihydroxybenzamide
CID 107726026
N-(4-acetamidophenyl)-2-amino-5-hydroxybenzamide
CID 107073912
N-(3,4-dimethoxyphenyl)-2,4-dihydroxybenzamide
CID 103606001
N-(4-amino-3-bromophenyl)-5-chloro-2-methylbenzamide
CID 82881267
methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate
CID 107074324

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide?
The IUPAC name of N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide (CID 107721508) is N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide.
What is the SMILES notation for N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide?
The canonical SMILES for N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide is Nc1ccc(NC(=O)c2ccc(O)cc2O)cc1Br.
What is the InChIKey of N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide?
The InChIKey is ZLEZGPIOVGKFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3/c14-10-5-7(1-4-11(10)15)16-13(19)9-3-2-8(17)6-12(9)18/h1-6,17-18H,15H2,(H,16,19).
What are the key properties of N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide?
N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide has a molecular weight of 323.15 g/mol, XLogP of 2.69, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-bromophenyl)-2,4-dihydroxybenzamide is sourced from PubChem (CID 107721508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).