N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide

C13H10Br2N2O3 — CID 107687612

IUPACN-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide
SMILESNc1cc(Br)c(NC(=O)c2c(O)cccc2O)c(Br)c1
InChIInChI=1S/C13H10Br2N2O3/c14-7-4-6(16)5-8(15)12(7)17-13(20)11-9(18)2-1-3-10(11)19/h1-5,18-19H,16H2,(H,17,20)
InChIKeyLJBUCNQFIXIPCS-UHFFFAOYSA-N
MW402.04 g/mol
LogP3.46
Rot. Bonds2

About N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide

N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide (PubChem CID 107687612) has the molecular formula C13H10Br2N2O3 and a molecular weight of 402.04 g/mol. Its IUPAC name is N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide
PubChem CID107687612
Molecular FormulaC13H10Br2N2O3
Molecular Weight402.04 g/mol
Exact Mass399.91
IUPAC NameN-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide
SMILESNc1cc(Br)c(NC(=O)c2c(O)cccc2O)c(Br)c1
InChIInChI=1S/C13H10Br2N2O3/c14-7-4-6(16)5-8(15)12(7)17-13(20)11-9(18)2-1-3-10(11)19/h1-5,18-19H,16H2,(H,17,20)
InChIKeyLJBUCNQFIXIPCS-UHFFFAOYSA-N
XLogP3.46
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.04
LogP ≤ 53.46
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-2,6-dibromophenyl)-4-fluoro-2-hydroxybenzamide
CID 107013162
N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide
CID 43549420
N-(4-aminophenyl)-2,6-dihydroxybenzamide
CID 107687533
3-amino-5-bromo-N-(2,6-dibromophenyl)benzamide
CID 107596142
N-(5-amino-3-bromo-2-pyridinyl)-2-fluoro-6-hydroxybenzamide
CID 107013249
2,3-dihydroxy-N-(2,4,6-tribromophenyl)benzamide
CID 114343907
2,4-diamino-N-(2,6-dibromophenyl)benzamide
CID 107596119
N-(2,6-dibromo-4-methylphenyl)-2,6-difluorobenzamide
CID 4116047
N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide
CID 82874501
N-(2-bromo-6-hydroxyphenyl)-2,6-difluorobenzamide
CID 135066630
4-bromo-N-(2,6-dibromophenyl)-2,6-difluorobenzamide
CID 107600670
3,5-diamino-N-(2-bromo-6-fluorophenyl)benzamide
CID 107596194

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide (CID 107687612) is N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide is Nc1cc(Br)c(NC(=O)c2c(O)cccc2O)c(Br)c1.
What is the InChIKey of N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide?
The InChIKey is LJBUCNQFIXIPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O3/c14-7-4-6(16)5-8(15)12(7)17-13(20)11-9(18)2-1-3-10(11)19/h1-5,18-19H,16H2,(H,17,20).
What are the key properties of N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide?
N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide has a molecular weight of 402.04 g/mol, XLogP of 3.46, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dibromophenyl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 107687612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).