N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide

C20H20F2N2O — CID 162662042

IUPACN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide
SMILESO=C(NCC12CC(CN1Cc1ccccc1)C2)c1cc(F)ccc1F
InChIInChI=1S/C20H20F2N2O/c21-16-6-7-18(22)17(8-16)19(25)23-13-20-9-15(10-20)12-24(20)11-14-4-2-1-3-5-14/h1-8,15H,9-13H2,(H,23,25)
InChIKeyXIEPQVXCKDZSEA-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.36
Rot. Bonds5

About N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide

N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide (PubChem CID 162662042) has the molecular formula C20H20F2N2O and a molecular weight of 342.39 g/mol. Its IUPAC name is N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide
PubChem CID162662042
Molecular FormulaC20H20F2N2O
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC NameN-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide
SMILESO=C(NCC12CC(CN1Cc1ccccc1)C2)c1cc(F)ccc1F
InChIInChI=1S/C20H20F2N2O/c21-16-6-7-18(22)17(8-16)19(25)23-13-20-9-15(10-20)12-24(20)11-14-4-2-1-3-5-14/h1-8,15H,9-13H2,(H,23,25)
InChIKeyXIEPQVXCKDZSEA-UHFFFAOYSA-N
XLogP3.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-fluoro-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide?
The IUPAC name of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide (CID 162662042) is N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide.
What is the SMILES notation for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide?
The canonical SMILES for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide is O=C(NCC12CC(CN1Cc1ccccc1)C2)c1cc(F)ccc1F.
What is the InChIKey of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide?
The InChIKey is XIEPQVXCKDZSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O/c21-16-6-7-18(22)17(8-16)19(25)23-13-20-9-15(10-20)12-24(20)11-14-4-2-1-3-5-14/h1-8,15H,9-13H2,(H,23,25).
What are the key properties of N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide?
N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide has a molecular weight of 342.39 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzyl-2-azabicyclo[2.1.1]hexan-1-yl)methyl]-2,5-difluorobenzamide is sourced from PubChem (CID 162662042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).