3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid

C14H9BrFNO4 — CID 104832762

IUPAC3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H9BrFNO4/c15-8-4-7(5-9(16)6-8)13(19)17-11-3-1-2-10(12(11)18)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChIKeySOQAUUHQXUJHQE-UHFFFAOYSA-N
MW354.13 g/mol
LogP3.24
Rot. Bonds3

About 3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid

3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid (PubChem CID 104832762) has the molecular formula C14H9BrFNO4 and a molecular weight of 354.13 g/mol. Its IUPAC name is 3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid
PubChem CID104832762
Molecular FormulaC14H9BrFNO4
Molecular Weight354.13 g/mol
Exact Mass352.97
IUPAC Name3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1O)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H9BrFNO4/c15-8-4-7(5-9(16)6-8)13(19)17-11-3-1-2-10(12(11)18)14(20)21/h1-6,18H,(H,17,19)(H,20,21)
InChIKeySOQAUUHQXUJHQE-UHFFFAOYSA-N
XLogP3.24
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.13
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-bromo-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43248205
2-[(3-bromo-5-fluorobenzoyl)amino]-3-chlorobenzoic acid
CID 107047530
3-[(4-bromo-3-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832839
3-[(3-bromo-4-chlorobenzoyl)amino]-2-hydroxybenzoic acid
CID 107998093
3-[(3-chloro-4-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832980
5-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 45434249
3-[(2-fluorobenzoyl)amino]-2-hydroxybenzoic acid
CID 104832806
3-bromo-2-[(3,5-difluorobenzoyl)amino]benzoic acid
CID 63112961
6-[(3-bromo-5-fluorobenzoyl)amino]pyridine-2-carboxylic acid
CID 63642371
3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107675143
3-bromo-N-(3-chloro-2-methoxyphenyl)-5-fluorobenzamide
CID 47382946
3-(furan-3-carbonylamino)-2-hydroxybenzoic acid
CID 113458385

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid (CID 104832762) is 3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid is O=C(Nc1cccc(C(=O)O)c1O)c1cc(F)cc(Br)c1.
What is the InChIKey of 3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid?
The InChIKey is SOQAUUHQXUJHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO4/c15-8-4-7(5-9(16)6-8)13(19)17-11-3-1-2-10(12(11)18)14(20)21/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid?
3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid has a molecular weight of 354.13 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-5-fluorobenzoyl)amino]-2-hydroxybenzoic acid is sourced from PubChem (CID 104832762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).