(2-acetamido-4-fluorophenyl)boronic acid

C8H9BFNO3 — CID 67417206

IUPAC(2-acetamido-4-fluorophenyl)boronic acid
SMILESCC(=O)Nc1cc(F)ccc1B(O)O
InChIInChI=1S/C8H9BFNO3/c1-5(12)11-8-4-6(10)2-3-7(8)9(13)14/h2-4,13-14H,1H3,(H,11,12)
InChIKeyZLPVQZXUYNKBNO-UHFFFAOYSA-N
MW196.97 g/mol
LogP-0.54
Rot. Bonds2

About (2-acetamido-4-fluorophenyl)boronic acid

(2-acetamido-4-fluorophenyl)boronic acid (PubChem CID 67417206) has the molecular formula C8H9BFNO3 and a molecular weight of 196.97 g/mol. Its IUPAC name is (2-acetamido-4-fluorophenyl)boronic acid.

Molecular Properties

Compound Name(2-acetamido-4-fluorophenyl)boronic acid
PubChem CID67417206
Molecular FormulaC8H9BFNO3
Molecular Weight196.97 g/mol
Exact Mass197.07
IUPAC Name(2-acetamido-4-fluorophenyl)boronic acid
SMILESCC(=O)Nc1cc(F)ccc1B(O)O
InChIInChI=1S/C8H9BFNO3/c1-5(12)11-8-4-6(10)2-3-7(8)9(13)14/h2-4,13-14H,1H3,(H,11,12)
InChIKeyZLPVQZXUYNKBNO-UHFFFAOYSA-N
XLogP-0.54
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.97
LogP ≤ 5-0.54
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-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
N-(2-ethyl-5-fluorophenyl)acetamide
CID 143900433
N-(4-fluoro-2-formylphenyl)acetamide
CID 84768300
[4-fluoro-2-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 139269826
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
N-[5-fluoro-2-(methanesulfonamido)phenyl]acetamide
CID 113093308
[5-fluoro-2-(prop-2-enoylamino)phenyl]boronic acid
CID 86053121
methyl 2-acetamido-5-fluorobenzoate
CID 60786102
N-[4-fluoro-2-(4-hydroxybutyl)phenyl]acetamide
CID 105482989
N-(2-acetamido-5-fluorophenyl)-3-methylbutanamide
CID 113092923
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
N-(2-acetamido-5-fluorophenyl)-2-phenylacetamide
CID 113092954

Frequently Asked Questions

What is the IUPAC name of (2-acetamido-4-fluorophenyl)boronic acid?
The IUPAC name of (2-acetamido-4-fluorophenyl)boronic acid (CID 67417206) is (2-acetamido-4-fluorophenyl)boronic acid.
What is the SMILES notation for (2-acetamido-4-fluorophenyl)boronic acid?
The canonical SMILES for (2-acetamido-4-fluorophenyl)boronic acid is CC(=O)Nc1cc(F)ccc1B(O)O.
What is the InChIKey of (2-acetamido-4-fluorophenyl)boronic acid?
The InChIKey is ZLPVQZXUYNKBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BFNO3/c1-5(12)11-8-4-6(10)2-3-7(8)9(13)14/h2-4,13-14H,1H3,(H,11,12).
What are the key properties of (2-acetamido-4-fluorophenyl)boronic acid?
(2-acetamido-4-fluorophenyl)boronic acid has a molecular weight of 196.97 g/mol, XLogP of -0.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetamido-4-fluorophenyl)boronic acid is sourced from PubChem (CID 67417206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).