2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

C22H21F5N2O — CID 45144983

IUPAC2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESO=C(NC1CC2CCC(C1)N2CCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C22H21F5N2O/c23-17-16(18(24)20(26)21(27)19(17)25)22(30)28-13-10-14-6-7-15(11-13)29(14)9-8-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,28,30)
InChIKeyDAZQSWILRMBCJV-UHFFFAOYSA-N
MW424.41 g/mol
LogP4.35
Rot. Bonds5

About 2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide

2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide (PubChem CID 45144983) has the molecular formula C22H21F5N2O and a molecular weight of 424.41 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
PubChem CID45144983
Molecular FormulaC22H21F5N2O
Molecular Weight424.41 g/mol
Exact Mass424.16
IUPAC Name2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
SMILESO=C(NC1CC2CCC(C1)N2CCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C22H21F5N2O/c23-17-16(18(24)20(26)21(27)19(17)25)22(30)28-13-10-14-6-7-15(11-13)29(14)9-8-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,28,30)
InChIKeyDAZQSWILRMBCJV-UHFFFAOYSA-N
XLogP4.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62740307
2-(4-nitrophenyl)-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetamide
CID 45144977
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-3-fluorobenzamide
CID 3217171
N-methyl-9-(2-phenylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105936
N-[(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-1-methyl-2-phenylindole-3-carboxamide
CID 70107814
N-[8-(1,3-benzodioxol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2,3,4,5,6-pentafluorobenzamide
CID 45144948
4-fluoro-N-[(1R,5S)-8-(4-phenylbutanoyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 91912163
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)naphthalene-2-carboxamide
CID 54577620
2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
CID 1109048
N-[(1S,5S)-8-benzyl-8-azabicyclo[3.2.1]octan-3-yl]-2-bromobenzamide
CID 7223858
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-methoxybenzamide;hydrochloride
CID 3059281

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide (CID 45144983) is 2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide is O=C(NC1CC2CCC(C1)N2CCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
The InChIKey is DAZQSWILRMBCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F5N2O/c23-17-16(18(24)20(26)21(27)19(17)25)22(30)28-13-10-14-6-7-15(11-13)29(14)9-8-12-4-2-1-3-5-12/h1-5,13-15H,6-11H2,(H,28,30).
What are the key properties of 2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide?
2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide has a molecular weight of 424.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide is sourced from PubChem (CID 45144983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).