3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid

C14H9Br2NO4 — CID 107729450

IUPAC3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Br)cc(NC(=O)c2cc(Br)ccc2O)c1
InChIInChI=1S/C14H9Br2NO4/c15-8-1-2-12(18)11(6-8)13(19)17-10-4-7(14(20)21)3-9(16)5-10/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyJITAEINIKQIIEH-UHFFFAOYSA-N
MW415.04 g/mol
LogP3.87
Rot. Bonds3

About 3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid

3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid (PubChem CID 107729450) has the molecular formula C14H9Br2NO4 and a molecular weight of 415.04 g/mol. Its IUPAC name is 3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
PubChem CID107729450
Molecular FormulaC14H9Br2NO4
Molecular Weight415.04 g/mol
Exact Mass412.89
IUPAC Name3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(O)c1cc(Br)cc(NC(=O)c2cc(Br)ccc2O)c1
InChIInChI=1S/C14H9Br2NO4/c15-8-1-2-12(18)11(6-8)13(19)17-10-4-7(14(20)21)3-9(16)5-10/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyJITAEINIKQIIEH-UHFFFAOYSA-N
XLogP3.87
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.04
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 5254471
3-bromo-5-[(3,5-dibromobenzoyl)amino]benzoic acid
CID 107971617
3-bromo-5-[(2-chloro-5-hydroxybenzoyl)amino]benzoic acid
CID 106500377
5-bromo-N-(4-bromophenyl)-2-hydroxybenzamide;5-bromo-2-hydroxy-N-phenylbenzamide
CID 175557226
4-[(5-bromo-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 107729335
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310
5-bromo-N-(3,5-dichloro-4-fluorophenyl)-2-hydroxybenzamide
CID 107729876
N-(3-bromo-5-chlorophenyl)-5-chloro-2-hydroxybenzamide
CID 177120584
4-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367797
5-bromo-N-(4-bromo-3-methylphenyl)-2-hydroxybenzamide
CID 103602071
5-bromo-2-hydroxy-N-(4-methoxyphenyl)benzamide
CID 14963005
5-bromo-2-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]benzamide
CID 107729682

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid (CID 107729450) is 3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid is O=C(O)c1cc(Br)cc(NC(=O)c2cc(Br)ccc2O)c1.
What is the InChIKey of 3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is JITAEINIKQIIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2NO4/c15-8-1-2-12(18)11(6-8)13(19)17-10-4-7(14(20)21)3-9(16)5-10/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid?
3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid has a molecular weight of 415.04 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 107729450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).