3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid

C15H10FNO5 — CID 175287357

IUPAC3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)N(O)C(=O)c2ccccc2F)c1
InChIInChI=1S/C15H10FNO5/c16-12-7-2-1-6-11(12)14(19)17(22)13(18)9-4-3-5-10(8-9)15(20)21/h1-8,22H,(H,20,21)
InChIKeyOFFGVACWJLTAHY-UHFFFAOYSA-N
MW303.25 g/mol
LogP2.20
Rot. Bonds3

About 3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid

3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid (PubChem CID 175287357) has the molecular formula C15H10FNO5 and a molecular weight of 303.25 g/mol. Its IUPAC name is 3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid.

Molecular Properties

Compound Name3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid
PubChem CID175287357
Molecular FormulaC15H10FNO5
Molecular Weight303.25 g/mol
Exact Mass303.05
IUPAC Name3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid
SMILESO=C(O)c1cccc(C(=O)N(O)C(=O)c2ccccc2F)c1
InChIInChI=1S/C15H10FNO5/c16-12-7-2-1-6-11(12)14(19)17(22)13(18)9-4-3-5-10(8-9)15(20)21/h1-8,22H,(H,20,21)
InChIKeyOFFGVACWJLTAHY-UHFFFAOYSA-N
XLogP2.20
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid?
The IUPAC name of 3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid (CID 175287357) is 3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid.
What is the SMILES notation for 3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid?
The canonical SMILES for 3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid is O=C(O)c1cccc(C(=O)N(O)C(=O)c2ccccc2F)c1.
What is the InChIKey of 3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid?
The InChIKey is OFFGVACWJLTAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO5/c16-12-7-2-1-6-11(12)14(19)17(22)13(18)9-4-3-5-10(8-9)15(20)21/h1-8,22H,(H,20,21).
What are the key properties of 3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid?
3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid has a molecular weight of 303.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorobenzoyl)-hydroxycarbamoyl]benzoic acid is sourced from PubChem (CID 175287357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).