N-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide

C17H22F2N2O — CID 21266251

IUPACN-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
SMILESCC(=O)NCC1(c2cc(F)cc(F)c2)CC2CCC(C1)N2C
InChIInChI=1S/C17H22F2N2O/c1-11(22)20-10-17(12-5-13(18)7-14(19)6-12)8-15-3-4-16(9-17)21(15)2/h5-7,15-16H,3-4,8-10H2,1-2H3,(H,20,22)
InChIKeyZMZSBNFAXFTGDM-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.60
Rot. Bonds3

About N-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide

N-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide (PubChem CID 21266251) has the molecular formula C17H22F2N2O and a molecular weight of 308.37 g/mol. Its IUPAC name is N-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
PubChem CID21266251
Molecular FormulaC17H22F2N2O
Molecular Weight308.37 g/mol
Exact Mass308.17
IUPAC NameN-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide
SMILESCC(=O)NCC1(c2cc(F)cc(F)c2)CC2CCC(C1)N2C
InChIInChI=1S/C17H22F2N2O/c1-11(22)20-10-17(12-5-13(18)7-14(19)6-12)8-15-3-4-16(9-17)21(15)2/h5-7,15-16H,3-4,8-10H2,1-2H3,(H,20,22)
InChIKeyZMZSBNFAXFTGDM-UHFFFAOYSA-N
XLogP2.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide?
The IUPAC name of N-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide (CID 21266251) is N-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide is CC(=O)NCC1(c2cc(F)cc(F)c2)CC2CCC(C1)N2C.
What is the InChIKey of N-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide?
The InChIKey is ZMZSBNFAXFTGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O/c1-11(22)20-10-17(12-5-13(18)7-14(19)6-12)8-15-3-4-16(9-17)21(15)2/h5-7,15-16H,3-4,8-10H2,1-2H3,(H,20,22).
What are the key properties of N-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide?
N-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide has a molecular weight of 308.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,5-difluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methyl]acetamide is sourced from PubChem (CID 21266251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).