2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide

C19H19F3N2O2 — CID 51125497

IUPAC2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)c1ccccc1OC(F)F
InChIInChI=1S/C19H19F3N2O2/c20-14-5-7-15(8-6-14)24-10-9-13(12-24)11-23-18(25)16-3-1-2-4-17(16)26-19(21)22/h1-8,13,19H,9-12H2,(H,23,25)
InChIKeyFJZGARDWMGNGJG-UHFFFAOYSA-N
MW364.37 g/mol
LogP3.68
Rot. Bonds6

About 2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide

2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide (PubChem CID 51125497) has the molecular formula C19H19F3N2O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
PubChem CID51125497
Molecular FormulaC19H19F3N2O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2ccc(F)cc2)C1)c1ccccc1OC(F)F
InChIInChI=1S/C19H19F3N2O2/c20-14-5-7-15(8-6-14)24-10-9-13(12-24)11-23-18(25)16-3-1-2-4-17(16)26-19(21)22/h1-8,13,19H,9-12H2,(H,23,25)
InChIKeyFJZGARDWMGNGJG-UHFFFAOYSA-N
XLogP3.68
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110413741
2-(difluoromethoxy)-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 103280038
3-fluoro-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110414263
2-bromo-4-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 55621618
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72931509
2-chloro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957578
N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95149559
2-[2-(dimethylamino)-2-oxoethoxy]-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 46441531
3-fluoro-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 42957565
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 167801766
2-oxo-N-[(1-phenylpyrrolidin-3-yl)methyl]-1H-pyridine-3-carboxamide
CID 46403357

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide?
The IUPAC name of 2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide (CID 51125497) is 2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide?
The canonical SMILES for 2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide is O=C(NCC1CCN(c2ccc(F)cc2)C1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide?
The InChIKey is FJZGARDWMGNGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O2/c20-14-5-7-15(8-6-14)24-10-9-13(12-24)11-23-18(25)16-3-1-2-4-17(16)26-19(21)22/h1-8,13,19H,9-12H2,(H,23,25).
What are the key properties of 2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide?
2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide has a molecular weight of 364.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]benzamide is sourced from PubChem (CID 51125497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).