N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide

C18H23FN2O — CID 50903491

IUPACN-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
SMILESO=C(NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1)c1cccc(F)c1
InChIInChI=1S/C18H23FN2O/c19-13-4-1-3-12(9-13)18(22)20-14-10-16-5-2-6-17(11-14)21(16)15-7-8-15/h1,3-4,9,14-17H,2,5-8,10-11H2,(H,20,22)/t16-,17-/m0/s1
InChIKeyCUJHOUXHTOTARE-IRXDYDNUSA-N
MW302.39 g/mol
LogP3.10
Rot. Bonds3

About N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide

N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide (PubChem CID 50903491) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
PubChem CID50903491
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC NameN-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
SMILESO=C(NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1)c1cccc(F)c1
InChIInChI=1S/C18H23FN2O/c19-13-4-1-3-12(9-13)18(22)20-14-10-16-5-2-6-17(11-14)21(16)15-7-8-15/h1,3-4,9,14-17H,2,5-8,10-11H2,(H,20,22)/t16-,17-/m0/s1
InChIKeyCUJHOUXHTOTARE-IRXDYDNUSA-N
XLogP3.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide with MolForge

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Related Compounds

N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
CID 1461300
3-fluoro-N-[(1S,5R)-9-(methylcarbamothioyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide
CID 11902418
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 3217171
N-[(1R,5S)-9-cyclohexyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
CID 1461660
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 61238981
(1S,5S)-3-benzamido-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 98110463
N-[(1S,3S)-3-[(3-chlorobenzoyl)amino]cyclohexyl]-3-fluorobenzamide
CID 71561313
(1R,5R)-3-[(4-fluorobenzoyl)amino]-N-(3-fluorophenyl)-9-azabicyclo[3.3.1]nonane-9-carboxamide
CID 7403583
3-fluoro-N-[(1R,2R)-2-hydroxycyclopentyl]benzamide
CID 40605325
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
3-bromo-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470115
N-[(1R,5S)-9-benzyl-9-azoniabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide
CID 11861829

Frequently Asked Questions

What is the IUPAC name of N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide?
The IUPAC name of N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide (CID 50903491) is N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide.
What is the SMILES notation for N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide?
The canonical SMILES for N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide is O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1)c1cccc(F)c1.
What is the InChIKey of N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide?
The InChIKey is CUJHOUXHTOTARE-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H23FN2O/c19-13-4-1-3-12(9-13)18(22)20-14-10-16-5-2-6-17(11-14)21(16)15-7-8-15/h1,3-4,9,14-17H,2,5-8,10-11H2,(H,20,22)/t16-,17-/m0/s1.
What are the key properties of N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide?
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide has a molecular weight of 302.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-fluorobenzamide is sourced from PubChem (CID 50903491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).