2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

C18H27BFNO3 — CID 140918741

IUPAC2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCC(C)CN(C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F
InChIInChI=1S/C18H27BFNO3/c1-12(2)11-21(7)16(22)13-9-8-10-14(15(13)20)19-23-17(3,4)18(5,6)24-19/h8-10,12H,11H2,1-7H3
InChIKeyKNPLJFMOQZUKMN-UHFFFAOYSA-N
MW335.23 g/mol
LogP2.85
Rot. Bonds4

About 2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (PubChem CID 140918741) has the molecular formula C18H27BFNO3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
PubChem CID140918741
Molecular FormulaC18H27BFNO3
Molecular Weight335.23 g/mol
Exact Mass335.21
IUPAC Name2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
SMILESCC(C)CN(C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F
InChIInChI=1S/C18H27BFNO3/c1-12(2)11-21(7)16(22)13-9-8-10-14(15(13)20)19-23-17(3,4)18(5,6)24-19/h8-10,12H,11H2,1-7H3
InChIKeyKNPLJFMOQZUKMN-UHFFFAOYSA-N
XLogP2.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)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

N-(cyclopropylmethyl)-2-fluoro-N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;[3-[cyclopropylmethyl(methyl)carbamoyl]-2-fluorophenyl]boronic acid
CID 158042640
[2-fluoro-3-[methyl(2-methylpropyl)carbamoyl]phenyl]boronic acid
CID 140918757
2,3-difluoro-N-(2-hydroxypropyl)-N-methylbenzamide
CID 55110703
3-hydroxy-N,2-dimethyl-N-(2-methylpropyl)benzamide
CID 82829951
1-N,1-N,3-N,3-N-tetra(propan-2-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxamide
CID 102082053
N-[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CID 130046624
2-amino-3-fluoro-N-methyl-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105384771
2-amino-3-fluoro-N-(2-methylpropanoyl)-N-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
CID 123835673
N-[[2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]ethanamine
CID 75487274
2,3-difluoro-N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 156807464
2-fluoro-N,3-dimethyl-N-(2-methylpropyl)-5-nitrobenzamide
CID 103297123
N-(2-bromo-3-methoxypropyl)-2,3-difluoro-N-methylbenzamide
CID 80671246

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide (CID 140918741) is 2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is CC(C)CN(C)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1F.
What is the InChIKey of 2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
The InChIKey is KNPLJFMOQZUKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BFNO3/c1-12(2)11-21(7)16(22)13-9-8-10-14(15(13)20)19-23-17(3,4)18(5,6)24-19/h8-10,12H,11H2,1-7H3.
What are the key properties of 2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide?
2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide has a molecular weight of 335.23 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-(2-methylpropyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide is sourced from PubChem (CID 140918741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).