N-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide

C20H24BFN2O4 — CID 140931457

IUPACN-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(Cn2cc(B3OC(C)(C)C(C)(C)O3)ccc2=O)c1
InChIInChI=1S/C20H24BFN2O4/c1-13(25)23-16-7-8-17(22)14(10-16)11-24-12-15(6-9-18(24)26)21-27-19(2,3)20(4,5)28-21/h6-10,12H,11H2,1-5H3,(H,23,25)
InChIKeyWNHCWNZYVSCAHK-UHFFFAOYSA-N
MW386.23 g/mol
LogP2.29
Rot. Bonds4

About N-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide

N-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide (PubChem CID 140931457) has the molecular formula C20H24BFN2O4 and a molecular weight of 386.23 g/mol. Its IUPAC name is N-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide
PubChem CID140931457
Molecular FormulaC20H24BFN2O4
Molecular Weight386.23 g/mol
Exact Mass386.18
IUPAC NameN-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(F)c(Cn2cc(B3OC(C)(C)C(C)(C)O3)ccc2=O)c1
InChIInChI=1S/C20H24BFN2O4/c1-13(25)23-16-7-8-17(22)14(10-16)11-24-12-15(6-9-18(24)26)21-27-19(2,3)20(4,5)28-21/h6-10,12H,11H2,1-5H3,(H,23,25)
InChIKeyWNHCWNZYVSCAHK-UHFFFAOYSA-N
XLogP2.29
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]-N-propan-2-ylpropanamide
CID 147414331
1-(naphthalen-2-ylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 140931483
N-[3-[[5-(3-amino-3a,7a-dihydro-1H-indazol-6-yl)-2-oxo-1-pyridinyl]methyl]-4-fluorophenyl]acetamide
CID 129066430
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)phenyl]acetamide
CID 171393278
ethane;2-(3-ethyl-4-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 144795670
N-[3-(aminomethyl)-4-fluorophenyl]acetamide
CID 62317128
N-[3-bromo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 167461806
N-[2,6-difluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 166086414
N-(1-benzyl-6-oxo-3-pyridinyl)acetamide
CID 167759496
1-(3,4-dimethylphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
CID 139592799
N-[3-(tert-butylsulfamoyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 142516741
N-[2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamoylamino]ethyl]acetamide
CID 66686958

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide (CID 140931457) is N-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide is CC(=O)Nc1ccc(F)c(Cn2cc(B3OC(C)(C)C(C)(C)O3)ccc2=O)c1.
What is the InChIKey of N-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide?
The InChIKey is WNHCWNZYVSCAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BFN2O4/c1-13(25)23-16-7-8-17(22)14(10-16)11-24-12-15(6-9-18(24)26)21-27-19(2,3)20(4,5)28-21/h6-10,12H,11H2,1-5H3,(H,23,25).
What are the key properties of N-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide?
N-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide has a molecular weight of 386.23 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[[2-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-pyridinyl]methyl]phenyl]acetamide is sourced from PubChem (CID 140931457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).