4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid

C14H9BrFNO4 — CID 107674764

IUPAC4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Br)ccc1C(=O)O)c1ccc(O)cc1F
InChIInChI=1S/C14H9BrFNO4/c15-7-1-3-10(14(20)21)12(5-7)17-13(19)9-4-2-8(18)6-11(9)16/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyYTVVHLOPSIVZGA-UHFFFAOYSA-N
MW354.13 g/mol
LogP3.24
Rot. Bonds3

About 4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid

4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid (PubChem CID 107674764) has the molecular formula C14H9BrFNO4 and a molecular weight of 354.13 g/mol. Its IUPAC name is 4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
PubChem CID107674764
Molecular FormulaC14H9BrFNO4
Molecular Weight354.13 g/mol
Exact Mass352.97
IUPAC Name4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
SMILESO=C(Nc1cc(Br)ccc1C(=O)O)c1ccc(O)cc1F
InChIInChI=1S/C14H9BrFNO4/c15-7-1-3-10(14(20)21)12(5-7)17-13(19)9-4-2-8(18)6-11(9)16/h1-6,18H,(H,17,19)(H,20,21)
InChIKeyYTVVHLOPSIVZGA-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

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Related Compounds

5-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674832
4-bromo-2-[(2,4-difluorobenzoyl)amino]benzoic acid
CID 60917051
4-chloro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674641
4-amino-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674554
5-fluoro-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid
CID 107674704
4-bromo-2-[(5-bromo-2-hydroxybenzoyl)amino]benzoic acid
CID 107729310
3-[(2-fluoro-4-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107675143
5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64793128
4-bromo-2-[(4-bromo-3-fluorobenzoyl)amino]benzoic acid
CID 63405102
N-(2-bromo-4-fluorophenyl)-2-fluoro-4-hydroxybenzamide
CID 107676284
4-amino-2-[(5-bromo-2-fluorobenzoyl)amino]benzoic acid
CID 63116124
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
The IUPAC name of 4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid (CID 107674764) is 4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid.
What is the SMILES notation for 4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
The canonical SMILES for 4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid is O=C(Nc1cc(Br)ccc1C(=O)O)c1ccc(O)cc1F.
What is the InChIKey of 4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
The InChIKey is YTVVHLOPSIVZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrFNO4/c15-7-1-3-10(14(20)21)12(5-7)17-13(19)9-4-2-8(18)6-11(9)16/h1-6,18H,(H,17,19)(H,20,21).
What are the key properties of 4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid?
4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic 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 4-bromo-2-[(2-fluoro-4-hydroxybenzoyl)amino]benzoic acid is sourced from PubChem (CID 107674764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).