N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide

C15H11BF3NO3 — CID 46196110

IUPACN-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)B(O)OC2)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11BF3NO3/c17-15(18,19)12-4-2-1-3-11(12)14(21)20-10-6-5-9-8-23-16(22)13(9)7-10/h1-7,22H,8H2,(H,20,21)
InChIKeyYFIUIQDIYVFGFI-UHFFFAOYSA-N
MW321.06 g/mol
LogP2.18
Rot. Bonds2

About N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide

N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide (PubChem CID 46196110) has the molecular formula C15H11BF3NO3 and a molecular weight of 321.06 g/mol. Its IUPAC name is N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide
PubChem CID46196110
Molecular FormulaC15H11BF3NO3
Molecular Weight321.06 g/mol
Exact Mass321.08
IUPAC NameN-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2c(c1)B(O)OC2)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11BF3NO3/c17-15(18,19)12-4-2-1-3-11(12)14(21)20-10-6-5-9-8-23-16(22)13(9)7-10/h1-7,22H,8H2,(H,20,21)
InChIKeyYFIUIQDIYVFGFI-UHFFFAOYSA-N
XLogP2.18
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.06
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acoziborole
CID 44178354
N-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)-4-(trifluoromethyl)benzamide
CID 17980288
2,4-difluoro-N-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)benzamide
CID 2810951
4-Fluoro-N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide
CID 46182130
2-fluoro-N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-6-(trifluoromethyl)benzamide
CID 46194034
3-chloro-2-fluoro-N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-6-(trifluoromethyl)benzamide
CID 56956256
N-(3-Oxo-1,3-dihydro-isobenzofuran-5-yl)-4-trifluoromethyl-benzamide
CID 599450
(E)-3-(3-fluorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)prop-2-enamide
CID 56835082
1-(4-acetylphenyl)-3-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)urea
CID 145950259
N-(4-fluorophenyl)-3-(1-hydroxy-3H-2,1-benzoxaborol-7-yl)propanamide
CID 155526971
N-(3-oxo-1,3-dihydro-2-benzofuran-5-yl)-3-phenylpropanamide
CID 732392
N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzamide
CID 1188393

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide (CID 46196110) is N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide is O=C(Nc1ccc2c(c1)B(O)OC2)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is YFIUIQDIYVFGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BF3NO3/c17-15(18,19)12-4-2-1-3-11(12)14(21)20-10-6-5-9-8-23-16(22)13(9)7-10/h1-7,22H,8H2,(H,20,21).
What are the key properties of N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide?
N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 321.06 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 46196110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).