[3-[(3-fluorobenzoyl)amino]phenyl]boronic acid

C13H11BFNO3 — CID 131251143

IUPAC[3-[(3-fluorobenzoyl)amino]phenyl]boronic acid
SMILESO=C(Nc1cccc(B(O)O)c1)c1cccc(F)c1
InChIInChI=1S/C13H11BFNO3/c15-11-5-1-3-9(7-11)13(17)16-12-6-2-4-10(8-12)14(18)19/h1-8,18-19H,(H,16,17)
InChIKeyUUANCVRUPDFFOK-UHFFFAOYSA-N
MW259.05 g/mol
LogP0.76
Rot. Bonds3

About [3-[(3-fluorobenzoyl)amino]phenyl]boronic acid

[3-[(3-fluorobenzoyl)amino]phenyl]boronic acid (PubChem CID 131251143) has the molecular formula C13H11BFNO3 and a molecular weight of 259.05 g/mol. Its IUPAC name is [3-[(3-fluorobenzoyl)amino]phenyl]boronic acid.

Molecular Properties

Compound Name[3-[(3-fluorobenzoyl)amino]phenyl]boronic acid
PubChem CID131251143
Molecular FormulaC13H11BFNO3
Molecular Weight259.05 g/mol
Exact Mass259.08
IUPAC Name[3-[(3-fluorobenzoyl)amino]phenyl]boronic acid
SMILESO=C(Nc1cccc(B(O)O)c1)c1cccc(F)c1
InChIInChI=1S/C13H11BFNO3/c15-11-5-1-3-9(7-11)13(17)16-12-6-2-4-10(8-12)14(18)19/h1-8,18-19H,(H,16,17)
InChIKeyUUANCVRUPDFFOK-UHFFFAOYSA-N
XLogP0.76
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
(3-aminophenyl)boronic acid;(3-benzamidophenyl)boronic acid
CID 158171259
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
N-[3-(2-aminoacetyl)phenyl]-3-fluorobenzamide
CID 170860390
N-[3-(bromomethyl)phenyl]-3-fluorobenzamide
CID 114307159
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
N-[3-(1-aminoethyl)phenyl]-3-fluorobenzamide
CID 16792077
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837703
3-N-(2,4-difluorophenyl)-1-N-(3-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057757
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
N-(3,5-dichloro-4-hydroxyphenyl)-3-fluorobenzamide
CID 82885015

Frequently Asked Questions

What is the IUPAC name of [3-[(3-fluorobenzoyl)amino]phenyl]boronic acid?
The IUPAC name of [3-[(3-fluorobenzoyl)amino]phenyl]boronic acid (CID 131251143) is [3-[(3-fluorobenzoyl)amino]phenyl]boronic acid.
What is the SMILES notation for [3-[(3-fluorobenzoyl)amino]phenyl]boronic acid?
The canonical SMILES for [3-[(3-fluorobenzoyl)amino]phenyl]boronic acid is O=C(Nc1cccc(B(O)O)c1)c1cccc(F)c1.
What is the InChIKey of [3-[(3-fluorobenzoyl)amino]phenyl]boronic acid?
The InChIKey is UUANCVRUPDFFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BFNO3/c15-11-5-1-3-9(7-11)13(17)16-12-6-2-4-10(8-12)14(18)19/h1-8,18-19H,(H,16,17).
What are the key properties of [3-[(3-fluorobenzoyl)amino]phenyl]boronic acid?
[3-[(3-fluorobenzoyl)amino]phenyl]boronic acid has a molecular weight of 259.05 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-fluorobenzoyl)amino]phenyl]boronic acid is sourced from PubChem (CID 131251143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).