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

C14H10BrNO5 — CID 107702530

IUPAC5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H10BrNO5/c15-8-1-2-12(11(5-8)14(20)21)16-13(19)7-3-9(17)6-10(18)4-7/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyTZBCMWGCLAAAEX-UHFFFAOYSA-N
MW352.14 g/mol
LogP2.81
Rot. Bonds3

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

5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid (PubChem CID 107702530) has the molecular formula C14H10BrNO5 and a molecular weight of 352.14 g/mol. Its IUPAC name is 5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
PubChem CID107702530
Molecular FormulaC14H10BrNO5
Molecular Weight352.14 g/mol
Exact Mass350.97
IUPAC Name5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccc(Br)cc1C(=O)O)c1cc(O)cc(O)c1
InChIInChI=1S/C14H10BrNO5/c15-8-1-2-12(11(5-8)14(20)21)16-13(19)7-3-9(17)6-10(18)4-7/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyTZBCMWGCLAAAEX-UHFFFAOYSA-N
XLogP2.81
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 52.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 45434249
2-[(3,5-dihydroxybenzoyl)amino]-5-methylbenzoic acid
CID 107702371
5-bromo-2-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 62048306
2-[(4-acetamidobenzoyl)amino]-5-bromobenzoic acid
CID 5181471
5-bromo-2-[(4-propan-2-ylbenzoyl)amino]benzoic acid
CID 45434078
5-bromo-2-[(4-cyanobenzoyl)amino]benzoic acid
CID 45434103
5-bromo-2-[(3-bromo-4-chlorobenzoyl)amino]benzoic acid
CID 107997828
3-bromo-4-[(3,5-dihydroxybenzoyl)amino]benzoic acid
CID 107702612
5-bromo-2-[(6-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 45340154
5-bromo-2-(carbamoylamino)benzoic acid
CID 54593537
5-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674832
5-bromo-2-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 62050351

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid (CID 107702530) is 5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid is O=C(Nc1ccc(Br)cc1C(=O)O)c1cc(O)cc(O)c1.
What is the InChIKey of 5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid?
The InChIKey is TZBCMWGCLAAAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO5/c15-8-1-2-12(11(5-8)14(20)21)16-13(19)7-3-9(17)6-10(18)4-7/h1-6,17-18H,(H,16,19)(H,20,21).
What are the key properties of 5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid?
5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid has a molecular weight of 352.14 g/mol, XLogP of 2.81, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3,5-dihydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 107702530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).