N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide

C16H20F2N2O — CID 99850402

IUPACN-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1cc(F)ccc1F)C1C[C@H]2CC[C@H](C1)N2
InChIInChI=1S/C16H20F2N2O/c1-20(14-8-12-3-4-13(9-14)19-12)16(21)7-10-6-11(17)2-5-15(10)18/h2,5-6,12-14,19H,3-4,7-9H2,1H3/t12-,13-/m1/s1
InChIKeyBLWSDJOJMOULPG-CHWSQXEVSA-N
MW294.34 g/mol
LogP2.25
Rot. Bonds3

About N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide

N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide (PubChem CID 99850402) has the molecular formula C16H20F2N2O and a molecular weight of 294.34 g/mol. Its IUPAC name is N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide
PubChem CID99850402
Molecular FormulaC16H20F2N2O
Molecular Weight294.34 g/mol
Exact Mass294.15
IUPAC NameN-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1cc(F)ccc1F)C1C[C@H]2CC[C@H](C1)N2
InChIInChI=1S/C16H20F2N2O/c1-20(14-8-12-3-4-13(9-14)19-12)16(21)7-10-6-11(17)2-5-15(10)18/h2,5-6,12-14,19H,3-4,7-9H2,1H3/t12-,13-/m1/s1
InChIKeyBLWSDJOJMOULPG-CHWSQXEVSA-N
XLogP2.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide
CID 61232593
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230663
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-chloro-4-fluoro-N-methylbenzamide
CID 82879416
N-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-bromo-4-fluoro-N-methylbenzamide
CID 100657836
3-(2,5-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443603
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 107148379
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide
CID 61232970
1-(8-azabicyclo[3.2.1]octan-3-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 171940818
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2,5-difluorophenyl)ethanone;hydrochloride
CID 119636794
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-fluorophenyl)-N-methylacetamide
CID 79615312
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide
CID 62366416
4-[[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]methyl]-3-fluorobenzamide
CID 61232434

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide?
The IUPAC name of N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide (CID 99850402) is N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide?
The canonical SMILES for N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide is CN(C(=O)Cc1cc(F)ccc1F)C1C[C@H]2CC[C@H](C1)N2.
What is the InChIKey of N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide?
The InChIKey is BLWSDJOJMOULPG-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-20(14-8-12-3-4-13(9-14)19-12)16(21)7-10-6-11(17)2-5-15(10)18/h2,5-6,12-14,19H,3-4,7-9H2,1H3/t12-,13-/m1/s1.
What are the key properties of N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide?
N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide has a molecular weight of 294.34 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5R)-8-azabicyclo[3.2.1]octan-3-yl]-2-(2,5-difluorophenyl)-N-methylacetamide is sourced from PubChem (CID 99850402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).