N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide

C18H26BFN2O3 — CID 162764941

IUPACN-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(F)c(NC(=O)N2CCCC2)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H26BFN2O3/c1-12-10-14(20)15(21-16(23)22-8-6-7-9-22)11-13(12)19-24-17(2,3)18(4,5)25-19/h10-11H,6-9H2,1-5H3,(H,21,23)
InChIKeyURSQAAYBYNLUJJ-UHFFFAOYSA-N
MW348.23 g/mol
LogP3.06
Rot. Bonds2

About N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide

N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 162764941) has the molecular formula C18H26BFN2O3 and a molecular weight of 348.23 g/mol. Its IUPAC name is N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID162764941
Molecular FormulaC18H26BFN2O3
Molecular Weight348.23 g/mol
Exact Mass348.20
IUPAC NameN-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCc1cc(F)c(NC(=O)N2CCCC2)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C18H26BFN2O3/c1-12-10-14(20)15(21-16(23)22-8-6-7-9-22)11-13(12)19-24-17(2,3)18(4,5)25-19/h10-11H,6-9H2,1-5H3,(H,21,23)
InChIKeyURSQAAYBYNLUJJ-UHFFFAOYSA-N
XLogP3.06
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide 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-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide
CID 47032428
N-[2,2,2-trifluoro-1-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 162468151
N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide
CID 103274750
[2-fluoro-6-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 171905620
N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 169075272
N-(4-bromo-2,5-difluorophenyl)piperidine-1-carboxamide
CID 107610837
3-(2,2-dimethylpropyl)-N-[5-fluoro-2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-hydroxyazetidine-1-carboxamide
CID 156706985
4,5-difluoro-2-(pyrrolidine-1-carbonylamino)benzoic acid
CID 62865922
4-[4-chloro-6-(1-methylpyrazol-4-yl)-2-pyridinyl]morpholine;N-[2-fluoro-4-methyl-5-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-4-pyridinyl]phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide;N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(trifluoromethyl)-2,5-dihydropyrrole-1-carboxamide
CID 165095795
N-(2-fluoro-5-methoxyphenyl)azepane-1-carboxamide
CID 115687770
N-[2-fluoro-4-methyl-5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)phenyl]pyrrolidine-1-carboxamide
CID 169130879
N-(7-fluoro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)azocane-1-carboxamide
CID 99584722

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide (CID 162764941) is N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide is Cc1cc(F)c(NC(=O)N2CCCC2)cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is URSQAAYBYNLUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BFN2O3/c1-12-10-14(20)15(21-16(23)22-8-6-7-9-22)11-13(12)19-24-17(2,3)18(4,5)25-19/h10-11H,6-9H2,1-5H3,(H,21,23).
What are the key properties of N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide?
N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 348.23 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 162764941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).