[2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid

C12H12BNO4 — CID 58664593

IUPAC[2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid
SMILESCc1occc1C(=O)Nc1ccccc1B(O)O
InChIInChI=1S/C12H12BNO4/c1-8-9(6-7-18-8)12(15)14-11-5-3-2-4-10(11)13(16)17/h2-7,16-17H,1H3,(H,14,15)
InChIKeyRYZFLSFJWULEBP-UHFFFAOYSA-N
MW245.04 g/mol
LogP0.52
Rot. Bonds3

About [2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid

[2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid (PubChem CID 58664593) has the molecular formula C12H12BNO4 and a molecular weight of 245.04 g/mol. Its IUPAC name is [2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid.

Molecular Properties

Compound Name[2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid
PubChem CID58664593
Molecular FormulaC12H12BNO4
Molecular Weight245.04 g/mol
Exact Mass245.09
IUPAC Name[2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid
SMILESCc1occc1C(=O)Nc1ccccc1B(O)O
InChIInChI=1S/C12H12BNO4/c1-8-9(6-7-18-8)12(15)14-11-5-3-2-4-10(11)13(16)17/h2-7,16-17H,1H3,(H,14,15)
InChIKeyRYZFLSFJWULEBP-UHFFFAOYSA-N
XLogP0.52
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.04
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2225644
2-methyl-N-(2-methylsulfanylphenyl)furan-3-carboxamide
CID 1243990
2-methyl-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]furan-3-carboxamide
CID 17417413
N-(4-iodophenyl)-2-methylfuran-3-carboxamide
CID 903791
4-hydroxy-3-[(2-methylfuran-3-carbonyl)amino]benzoic acid
CID 107264605
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)furan-3-carboxamide
CID 80554325
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-3-carboxamide
CID 114490943
N-iodo-2-methylfuran-3-carboxamide
CID 170236265
N-(2-bromo-5-chlorophenyl)-2-methylfuran-3-carboxamide
CID 81271612
N-(4-amino-2-bromophenyl)-2-methylfuran-3-carboxamide
CID 43549570
[2-[(3-methylthiophene-2-carbonyl)amino]phenyl]boronic acid
CID 58689740
1-N',4-N'-bis(2-methylfuran-3-carbonyl)benzene-1,4-dicarbohydrazide
CID 1011836

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid?
The IUPAC name of [2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid (CID 58664593) is [2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid.
What is the SMILES notation for [2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid?
The canonical SMILES for [2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid is Cc1occc1C(=O)Nc1ccccc1B(O)O.
What is the InChIKey of [2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid?
The InChIKey is RYZFLSFJWULEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BNO4/c1-8-9(6-7-18-8)12(15)14-11-5-3-2-4-10(11)13(16)17/h2-7,16-17H,1H3,(H,14,15).
What are the key properties of [2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid?
[2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid has a molecular weight of 245.04 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylfuran-3-carbonyl)amino]phenyl]boronic acid is sourced from PubChem (CID 58664593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).