3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid

C14H9BrFNO4 — CID 107264755

IUPAC3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)c2cc(F)ccc2Br)c1
InChIInChI=1S/C14H9BrFNO4/c15-10-3-2-8(16)6-9(10)13(19)17-11-5-7(14(20)21)1-4-12(11)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyKXULRIXTQVUDNC-UHFFFAOYSA-N
MW354.13 g/mol
LogP3.24
Rot. Bonds3

About 3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid

3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid (PubChem CID 107264755) has the molecular formula C14H9BrFNO4 and a molecular weight of 354.13 g/mol. Its IUPAC name is 3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid
PubChem CID107264755
Molecular FormulaC14H9BrFNO4
Molecular Weight354.13 g/mol
Exact Mass352.97
IUPAC Name3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)c(NC(=O)c2cc(F)ccc2Br)c1
InChIInChI=1S/C14H9BrFNO4/c15-10-3-2-8(16)6-9(10)13(19)17-11-5-7(14(20)21)1-4-12(11)18/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyKXULRIXTQVUDNC-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

3-[(2,4-dibromobenzoyl)amino]-4-hydroxybenzoic acid
CID 107938407
3-[(3,5-difluorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264829
2-[(2-bromo-5-fluorobenzoyl)amino]benzoic acid
CID 16773060
3-[(2,5-difluorobenzoyl)amino]-4-fluorobenzoic acid
CID 60748401
3-[(4-bromo-2-chlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264740
3-[(3-bromo-4-methylbenzoyl)amino]-4-hydroxybenzoic acid
CID 107264705
5-fluoro-2-[(5-fluoro-2-hydroxybenzoyl)amino]benzoic acid
CID 115298431
2-bromo-5-fluoro-N-(2,4,6-triiodophenyl)benzamide
CID 63524397
3-[(2,3-dichlorobenzoyl)amino]-4-hydroxybenzoic acid
CID 107264731
4-chloro-3-[(2,5-dibromobenzoyl)amino]benzoic acid
CID 114367860
N-(5-amino-2-bromophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298391
4-bromo-3-[[4-[(2-bromo-5-carboxyphenyl)carbamoyl]benzoyl]amino]benzoic acid
CID 102504163

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid?
The IUPAC name of 3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid (CID 107264755) is 3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid.
What is the SMILES notation for 3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid?
The canonical SMILES for 3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid is O=C(O)c1ccc(O)c(NC(=O)c2cc(F)ccc2Br)c1.
What is the InChIKey of 3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid?
The InChIKey is KXULRIXTQVUDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO4/c15-10-3-2-8(16)6-9(10)13(19)17-11-5-7(14(20)21)1-4-12(11)18/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 3-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid?
3-[(2-bromo-5-fluorobenzoyl)amino]-4-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-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybenzoic acid is sourced from PubChem (CID 107264755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).