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

C14H10BrNO5 — CID 107721654

IUPAC3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1c(Br)cccc1C(=O)O)c1cc(O)ccc1O
InChIInChI=1S/C14H10BrNO5/c15-10-3-1-2-8(14(20)21)12(10)16-13(19)9-6-7(17)4-5-11(9)18/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyFUESENPFXICHHW-UHFFFAOYSA-N
MW352.14 g/mol
LogP2.81
Rot. Bonds3

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

3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid (PubChem CID 107721654) has the molecular formula C14H10BrNO5 and a molecular weight of 352.14 g/mol. Its IUPAC name is 3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid
PubChem CID107721654
Molecular FormulaC14H10BrNO5
Molecular Weight352.14 g/mol
Exact Mass350.97
IUPAC Name3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1c(Br)cccc1C(=O)O)c1cc(O)ccc1O
InChIInChI=1S/C14H10BrNO5/c15-10-3-1-2-8(14(20)21)12(10)16-13(19)9-6-7(17)4-5-11(9)18/h1-6,17-18H,(H,16,19)(H,20,21)
InChIKeyFUESENPFXICHHW-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

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-2-[(2,4-dimethylbenzoyl)amino]benzoic acid
CID 63113012
3-bromo-2-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802679
3-bromo-2-[(2,4-dichlorobenzoyl)amino]benzoic acid
CID 63112414
3-bromo-2-[(4-bromobenzoyl)amino]benzoic acid
CID 63112551
N-(2,6-dibromo-4-methylphenyl)-2,5-dihydroxybenzamide
CID 107722300
3-bromo-2-[[2-(4-hydroxyphenyl)acetyl]amino]benzoic acid
CID 63112944
3-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 63112961
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
3-bromo-2-[[2-(3-hydroxyphenyl)acetyl]amino]benzoic acid
CID 63112768
3-bromo-2-[(5-bromothiophene-2-carbonyl)amino]benzoic acid
CID 63112917
3-bromo-2-(thiophene-2-carbonylamino)benzoic acid
CID 63113001
3-bromo-2-(carbamothioylamino)benzoic acid
CID 169356004

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid (CID 107721654) is 3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid is O=C(Nc1c(Br)cccc1C(=O)O)c1cc(O)ccc1O.
What is the InChIKey of 3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid?
The InChIKey is FUESENPFXICHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO5/c15-10-3-1-2-8(14(20)21)12(10)16-13(19)9-6-7(17)4-5-11(9)18/h1-6,17-18H,(H,16,19)(H,20,21).
What are the key properties of 3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid?
3-bromo-2-[(2,5-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 3-bromo-2-[(2,5-dihydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 107721654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).