N-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide

C18H27BFNO3 — CID 154713232

IUPACN-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H](B1OC(C)(C)C(C)(C)O1)c1ccc(F)cc1
InChIInChI=1S/C18H27BFNO3/c1-16(2,3)15(22)21-14(12-8-10-13(20)11-9-12)19-23-17(4,5)18(6,7)24-19/h8-11,14H,1-7H3,(H,21,22)/t14-/m0/s1
InChIKeyXGDOGBGLHHIVJD-AWEZNQCLSA-N
MW335.23 g/mol
LogP3.66
Rot. Bonds3

About N-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide

N-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide (PubChem CID 154713232) has the molecular formula C18H27BFNO3 and a molecular weight of 335.23 g/mol. Its IUPAC name is N-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide
PubChem CID154713232
Molecular FormulaC18H27BFNO3
Molecular Weight335.23 g/mol
Exact Mass335.21
IUPAC NameN-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N[C@H](B1OC(C)(C)C(C)(C)O1)c1ccc(F)cc1
InChIInChI=1S/C18H27BFNO3/c1-16(2,3)15(22)21-14(12-8-10-13(20)11-9-12)19-23-17(4,5)18(6,7)24-19/h8-11,14H,1-7H3,(H,21,22)/t14-/m0/s1
InChIKeyXGDOGBGLHHIVJD-AWEZNQCLSA-N
XLogP3.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide 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

N-(4-fluorobenzyl)pentanamide
CID 1741622
N-[(2-fluorophenyl)methyl]-2,2-dimethylbutanamide
CID 121446730
N-(4-fluorobenzyl)-3,3-dimethylbutanamide
CID 803184
N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 898433
N-benzyl-2,2-dimethylpropanamide
CID 312696
2-(N-Methylaminomethyl)phenylboronic acid, pinacol ester
CID 46739230
N-(4-Fluorobenzyl)acetamide
CID 3532104
tert-butyl N-{[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl}carbamate
CID 2760591
4-(tert-Butoxycarbonylaminomethyl)phenylboronic acid, pinacol ester
CID 3415442
4-[(Acetylamino)methyl]benzeneboronic acid
CID 22309454
Tert-butyl(((4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methyl))amine
CID 56737687
tert-butyl N-((2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methyl)carbamate
CID 56776828

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide (CID 154713232) is N-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)N[C@H](B1OC(C)(C)C(C)(C)O1)c1ccc(F)cc1.
What is the InChIKey of N-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide?
The InChIKey is XGDOGBGLHHIVJD-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27BFNO3/c1-16(2,3)15(22)21-14(12-8-10-13(20)11-9-12)19-23-17(4,5)18(6,7)24-19/h8-11,14H,1-7H3,(H,21,22)/t14-/m0/s1.
What are the key properties of N-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide?
N-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide has a molecular weight of 335.23 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-fluorophenyl)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 154713232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).