4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide

C23H25FN2O — CID 1114031

IUPAC4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide
SMILESCN1[C@@H]2CC[C@H]1C=C(N(CCc1ccccc1)C(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C23H25FN2O/c1-25-20-11-12-21(25)16-22(15-20)26(14-13-17-5-3-2-4-6-17)23(27)18-7-9-19(24)10-8-18/h2-10,15,20-21H,11-14,16H2,1H3/t20-,21+/m0/s1
InChIKeyQNDXPYLMSWGOGQ-LEWJYISDSA-N
MW364.46 g/mol
LogP4.26
Rot. Bonds5

About 4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide

4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide (PubChem CID 1114031) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is 4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide
PubChem CID1114031
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC Name4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide
SMILESCN1[C@@H]2CC[C@H]1C=C(N(CCc1ccccc1)C(=O)c1ccc(F)cc1)C2
InChIInChI=1S/C23H25FN2O/c1-25-20-11-12-21(25)16-22(15-20)26(14-13-17-5-3-2-4-6-17)23(27)18-7-9-19(24)10-8-18/h2-10,15,20-21H,11-14,16H2,1H3/t20-,21+/m0/s1
InChIKeyQNDXPYLMSWGOGQ-LEWJYISDSA-N
XLogP4.26
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide with MolForge

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride
CID 2870037
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydron;chloride
CID 651163
N-butyl-4-chloro-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide
CID 2837546
N-butyl-3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]benzamide
CID 51005782
N-butyl-2,4-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)benzamide;hydrochloride
CID 11726191
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-phenyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 24835778
N-benzyl-4-fluoro-N-methylbenzamide
CID 669229
3,5-dimethyl-N-[(1R,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-N-(2-phenylethyl)benzamide
CID 2056963
4-fluoro-N-[1-(3-methylbutyl)piperidin-4-yl]-N-phenylbenzamide
CID 42858014
1-(4-fluorophenyl)-4-[methyl(2-phenylethyl)amino]butan-1-one
CID 129323215
4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]benzamide
CID 6968265
N-butyl-4-fluoro-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 3075075

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide (CID 1114031) is 4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide is CN1[C@@H]2CC[C@H]1C=C(N(CCc1ccccc1)C(=O)c1ccc(F)cc1)C2.
What is the InChIKey of 4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide?
The InChIKey is QNDXPYLMSWGOGQ-LEWJYISDSA-N. The full InChI is InChI=1S/C23H25FN2O/c1-25-20-11-12-21(25)16-22(15-20)26(14-13-17-5-3-2-4-6-17)23(27)18-7-9-19(24)10-8-18/h2-10,15,20-21H,11-14,16H2,1H3/t20-,21+/m0/s1.
What are the key properties of 4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide?
4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide has a molecular weight of 364.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 1114031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).